SCHEMBL4066196

SCHEMBL4066196

COc1nc(C(C)C)cc(C)c1C#N

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.63
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SQOR Q9Y6N5 8/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29332134 0.83 RECQL (0.46) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL21509936 0.79 KDM4E (0.43) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL2673753 0.79 RECQL (0.71) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL5377959 0.77 RECQL (1.00) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL4067878 0.76 RECQL (0.40) RECQLSQORKDM4EALDH1A1HPGD
SCHEMBL4071963 0.76 RECQL (0.67) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL17163957 0.76 RECQL (0.67) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL15431036 0.74 NOS3 (0.36) RECQLPOLBTSHRCYP2C19CYP3A4
SCHEMBL4069790 0.73 MAPK8 (0.41) RECQLTSHRMAPK1SQORCYP1A2
SCHEMBL23895347 0.72 RECQL (0.61) RECQLPOLBTSHRMAPK1SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO 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 (1 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 RECQL 3534/4885POLB 4143/4885TSHR 4541/4885

“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.