SCHEMBL4191863

SCHEMBL4191863

COCCOc1ccc(CC(=O)CC#N)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
FDPS P14324 5/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
PPARA Q07869 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CA5A P35218 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2984179 0.95 CYP1A2 (0.44) CYP1A2CYP2C19NPC1LMNAHTT
SCHEMBL2975545 0.88 CYP1A2 (0.55) CYP1A2CYP2C19NPC1LMNAHTT
SCHEMBL4070157 0.81 CA5A (0.61) FDPSNPC1LMNAHTTPPARA
SCHEMBL13250648 0.79 FDPS (0.49) CYP2C19FDPSNPC1PPARAMEN1
SCHEMBL4189413 0.76 FDPS (0.54) FDPSLMNAHSD17B10MEN1KMT2A
SCHEMBL2987951 0.74 NPSR1 (0.48) CYP1A2CYP2C19NPC1LMNAHTT
SCHEMBL2928634 0.74 ALOX5 (0.55) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL30859524 0.74 LMNA (0.63) NPC1LMNAHTTMEN1KMT2A
SCHEMBL11187045 0.74 LMNA (0.63) NPC1LMNAHTTMEN1KMT2A
SCHEMBL1050659 0.73 FDPS (0.41) FDPSNPC1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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 (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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 CYP1A2 2205/4885CYP2C19 3151/4885FDPS 2801/4885

“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.