SCHEMBL4067341

SCHEMBL4067341

Cc1cc(C)c(C#N)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADORA1 P30542 7/20 0.54
ADORA2A P29274 5/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
ADORA2B P29275 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.49
MITF O75030 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4064383 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ADORA1ADORA2AKDM4E
SCHEMBL13299553 0.76 POLB (0.69) ALDH1A1SMN1; SMN2CYP1A2ADORA1ADORA2A
SCHEMBL12681386 0.74 ADORA1 (0.56) ALDH1A1ADORA1ADORA2AHSD17B10ADORA2B
SCHEMBL10411099 0.74 KDM4E (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19ADORA1
SCHEMBL4073517 0.72 ADORA1 (0.48) ALDH1A1SMN1; SMN2ADORA1ADORA2AKDM4E
SCHEMBL4064211 0.72 L3MBTL1 (0.71) ALDH1A1SMN1; SMN2CYP1A2CYP2C19ADORA1
SCHEMBL14176622 0.72 KDM4E (0.77) ALDH1A1SMN1; SMN2CYP1A2CYP2C19ADORA1
SCHEMBL4074705 0.72 CYP1A2 (1.00) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HPGD
SCHEMBL9375137 0.72 CYP1A2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C19ADORA1
SCHEMBL20041347 0.72 ADORA1 (0.77) ALDH1A1ADORA1ADORA2AKDM4EHPGD

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 ALDH1A1 1008/4885SMN1; SMN2 4116/4885CYP1A2 161/4885

“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.