SCHEMBL4074705

SCHEMBL4074705

Cc1cc(C)c(C#N)c(Oc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
POLB P06746 1/20 0.76
TSHR P16473 1/20 0.76
MAPK1 P28482 1/20 0.76
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
GPR119 Q8TDV5 10/20 0.63
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL4067048 0.79 CYP1A2 (0.65) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL5388756 0.78 POLB (0.67) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL7054779 0.76 CYP1A2 (0.61) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL2673753 0.76 RECQL (0.71) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL19665240 0.73 PIN1 (0.62) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL4067341 0.72 ALDH1A1 (0.56) CYP1A2CYP2C19SMN1; SMN2POLBMAPK1
SCHEMBL9820174 0.72 ALDH1A1 (0.57) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL1145344 0.72 SMN1; SMN2 (0.56) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL23484280 0.71 SMN1; SMN2 (0.58) CYP1A2CYP2C19SMN1; SMN2POLBTSHR
SCHEMBL31456931 0.70 CYP1A2 (0.54) CYP1A2CYP2C19SMN1; SMN2POLBTSHR

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 CYP1A2 161/4885CYP2C19 155/4885SMN1; SMN2 4116/4885

“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.