SCHEMBL3683998

SCHEMBL3683998

CC(C)(C)c1nccc(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
PIK3CA P42336 7/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 1/20 0.36
JMJD1C Q15652 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
NNMT P40261 1/20 0.34

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
SCHEMBL14965691 0.87 ADORA3 (0.36) SYKADORA3TSHRMC4RADRA1A
SCHEMBL31506349 0.83 KDM4E (0.49) SYKTSHRKDM4EKDM5AJMJD1C
SCHEMBL13043849 0.83 ALDH1A1 (0.42) SYKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2627832 0.83 KDM4E (0.49) SYKTSHRKDM4EKDM5AJMJD1C
SCHEMBL3743806 0.81 KDM4E (0.47) SYKTSHRKDM4EKDM5AJMJD1C
SCHEMBL13043958 0.81 GABRP (0.35) SYKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2791548 0.81 KMT2A (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL24925529 0.81 P2RX7 (0.49) SYKADORA3KDM4EKDM5AJMJD1C
Lithium Ion SCHEMBL3743801 0.80 SYK (0.33) SYKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL24925458 0.80 KDM4E (0.35) SYKPIK3CAPIK3CDPIK3CBPIK3CG

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
US-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 US disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
US-10570118-B2 Isoquinolones as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-25 US disclosed
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-24 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 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 (6 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 SYK 3580/4885PIK3CA 2728/4885PIK3CD 2536/4885
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 SYK 4690/4885PIK3CA 2153/4885PIK3CD 3083/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 SYK 21/4885PIK3CA 494/4885PIK3CD 460/4885
US-10570118-B2 Isoquinolones as BTK inhibitors BTK, SYK, LYN SYK 2/4885PIK3CA 20/4885PIK3CD 29/4885
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BTK, SYK, LYN SYK 2/4885PIK3CA 20/4885PIK3CD 29/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 SYK 1300/4885PIK3CA 311/4885PIK3CD 438/4885

“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.