SCHEMBL3742227

SCHEMBL3742227

Cc1nc(C(N)=O)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
IKBKB O14920 7/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PDE4B Q07343 1/20 0.35
BACE1 P56817 3/20 0.34
PDPK1 O15530 1/20 0.34
FBP1 P09467 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BMP1 P13497 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC9A1 P19634 1/20 0.32

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
SCHEMBL287238 0.79 ALDH1A1 (0.33) POLBALDH1A1PDE4BFBP1HSD17B10
SCHEMBL8613414 0.79 IKBKB (0.38) POLBIKBKBKDM4EALDH1A1BACE1
SCHEMBL13056617 0.78 IKBKB (0.38) POLBIKBKBKDM4EALDH1A1BACE1
SCHEMBL8891206 0.78 POLB (0.38) POLBIKBKBKDM4EALDH1A1PPARG
SCHEMBL539776 0.77 FBP1 (0.32) POLBALDH1A1FBP1
Hydrochloric Acid SCHEMBL19119222 0.77 PDE4B (0.33) POLBALDH1A1PDE4BFBP1HSD17B10
SCHEMBL31008786 0.75 FBP1 (0.39) POLBIKBKBKDM4EALDH1A1PDPK1
SCHEMBL13056605 0.75 KDM4E (0.38) POLBIKBKBKDM4EALDH1A1PPARG
SCHEMBL13056607 0.75 POLB (0.39) POLBIKBKBKDM4EALDH1A1PDE4B
SCHEMBL12391743 0.74 FBP1 (0.33) FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526206-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-21 EP claimed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
CN-101516360-A Substituted acetylenic compounds useful for the treatment of diseases LEO PHARMA AS (DK) 2009-08-26 CN claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2025-01-09 US disclosed
CN-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
CN-107614498-B Diaza-benzofluoranthenes 哈药集团制药总厂 2020-06-05 CN disclosed
EP-3526206-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-21 EP disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
CN-101516360-A Substituted acetylenic compounds useful for the treatment of diseases LEO PHARMA AS (DK) 2009-08-26 CN disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (4 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R POLB 3993/4885IKBKB 1485/4885KDM4E 3962/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL POLB 3038/4885IKBKB 2703/4885KDM4E 3446/4885
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS POLB 178/4885IKBKB 170/4885KDM4E 3706/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885IKBKB 482/4885KDM4E 1645/4885

“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.