SCHEMBL2603317

SCHEMBL2603317

CC(C)N1CCOCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.41
NR3C2 P08235 2/20 0.41
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SCD5 Q86SK9 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18913836 1.00 PIK3C3 (0.41) PIK3C3NR3C2NUDT1BACE1CHRNB2
SCHEMBL22213815 1.00 PIK3C3 (0.41) PIK3C3NR3C2NUDT1BACE1CHRNB2
SCHEMBL23491507 0.87 PIK3C3 (0.40) PIK3C3NR3C2NUDT1BACE1CHRNB2
SCHEMBL25081435 0.85 CHRNB2 (0.41) PIK3C3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12946006 0.84 PIK3C3 (0.39) PIK3C3NR3C2NUDT1BACE1CHRNB2
SCHEMBL2603305 0.84 HRH3 (0.38) LTA4HATM
SCHEMBL4096638 0.82 CHRNA7 (0.47) PIK3C3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4105231 0.82 PIK3C3 (0.43) PIK3C3NR3C2ALDH1A1GAASCD5
SCHEMBL25628587 0.78 ADRB2 (0.35) BACE1
SCHEMBL22213822 0.78 BACE1 (0.35) PIK3C3NR3C2NUDT1BACE1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20220175788-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2022-06-09 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-11179399-B2 6-heterocyclyl-4-morpholin-4-ylpyridine-2-one compounds useful for the treatment of cancer and diabetes SPRINT BIOSCIENCE AB (SE) 2021-11-23 US disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 US disclosed
US-20210161906-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2021-06-03 US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 WO disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 PIK3C3 3505/4885NR3C2 2211/4885NUDT1 2394/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 PIK3C3 1038/4885NR3C2 671/4885NUDT1 2994/4885
US-20210161906-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES CDK6, IL6, CDK4 PIK3C3 4621/4885NR3C2 2782/4885NUDT1 1926/4885
US-20220175788-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES CDK6, IL6, CDK4 PIK3C3 4621/4885NR3C2 2782/4885NUDT1 1926/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 PIK3C3 4491/4885NR3C2 40/4885NUDT1 3616/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 PIK3C3 196/4885NR3C2 345/4885NUDT1 3707/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PIK3C3 3380/4885NR3C2 1228/4885NUDT1 2398/4885
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 PIK3C3 2446/4885NR3C2 1171/4885NUDT1 2669/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 PIK3C3 2168/4885NR3C2 381/4885NUDT1 2050/4885
US-11179399-B2 6-heterocyclyl-4-morpholin-4-ylpyridine-2-one compounds useful for the treatment of cancer and diabetes CDK6, IL6, CDK4 PIK3C3 4621/4885NR3C2 2782/4885NUDT1 1926/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 PIK3C3 1979/4885NR3C2 3949/4885NUDT1 30/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR PIK3C3 318/4885NR3C2 2846/4885NUDT1 3426/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS PIK3C3 318/4885NR3C2 3931/4885NUDT1 3169/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.