SCHEMBL2975545

SCHEMBL2975545

COc1ccc(CC(=O)CC#N)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LDHA P00338 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HIF1A Q16665 1/20 0.49
MAPK1 P28482 1/20 0.49
EPHX2 P34913 1/20 0.49
CA2 P00918 1/20 0.49
TSHR P16473 1/20 0.48
MAPK10 P53779 1/20 0.48

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
SCHEMBL4191863 0.88 CYP1A2 (0.44) CYP1A2CYP2C19LMNAHTTNPC1
SCHEMBL2984179 0.88 CYP1A2 (0.44) CYP1A2CYP2C19LMNAHTTNPC1
SCHEMBL2928634 0.85 ALOX5 (0.55) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL30859524 0.85 LMNA (0.63) LMNAHTTNPC1GAAKMT2A
SCHEMBL11187045 0.85 LMNA (0.63) LMNAHTTNPC1GAAKMT2A
SCHEMBL8373034 0.80 LMNA (0.58) CYP1A2CYP2C19LMNAHTTNPC1
SCHEMBL21154904 0.80 LMNA (0.58) LMNAHTTNPC1GAAKMT2A
SCHEMBL31618757 0.80 LMNA (0.58) CYP1A2CYP2C19LMNAHTTNPC1
SCHEMBL12731534 0.79 LMNA (0.56) LMNAHTTNPC1GAAKMT2A
SCHEMBL11231693 0.79 LMNA (0.56) LMNAHTTNPC1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
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
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US 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 (2 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 CYP1A2 2161/4885CYP2C19 3472/4885LMNA 1997/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 CYP1A2 2205/4885CYP2C19 3151/4885LMNA 2130/4885

“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.