SCHEMBL4063577

SCHEMBL4063577

COCCc1c(C#N)cnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
MAP2K1 Q02750 6/20 0.42
RAF1 P04049 3/20 0.42
LDHA P00338 1/20 0.40
EGFR P00533 4/20 0.39
ERBB2 P04626 3/20 0.39
SRC P12931 6/20 0.38
MYC P01106 1/20 0.38
ABL1 P00519 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
SYK P43405 1/20 0.38
IMPDH2 P12268 2/20 0.36
IMPDH1 P20839 1/20 0.36

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
SCHEMBL4072555 0.94 LRRK2 (0.43) LRRK2MAP2K1RAF1LDHAEGFR
SCHEMBL4246880 0.83 LRRK2 (0.38) LRRK2MAP2K1RAF1EGFRERBB2
SCHEMBL4572184 0.80 LRRK2 (0.54) LRRK2MAP2K1RAF1SRCIMPDH2
SCHEMBL27668508 0.79 TLR7 (0.47) LRRK2MAP2K1RAF1
SCHEMBL4231806 0.77 LRRK2 (0.50) LRRK2MAP2K1RAF1SRCIMPDH2
SCHEMBL3156282 0.77 LRRK2 (0.50) LRRK2MAP2K1RAF1EGFRERBB2
SCHEMBL27668262 0.77 LRRK2 (0.57) LRRK2MAP2K1RAF1EGFRERBB2
SCHEMBL20178365 0.74 LRRK2 (0.54) LRRK2MAP2K1RAF1EGFRERBB2
SCHEMBL20494995 0.73 ALDH1A1 (0.43) LDHAMYC
SCHEMBL8560017 0.72 CYP1A2 (0.51) LDHAKDR

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 LRRK2 2056/4885MAP2K1 2006/4885RAF1 2516/4885

“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.