SCHEMBL3076231

SCHEMBL3076231

CCOc1nccc(-c2ccccc2)c1C#N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 2/20 0.62
NPC1 O15118 1/20 0.62
CRHBP P24387 1/20 0.62
RAB9A P51151 1/20 0.62
CRHR2 Q13324 1/20 0.62
SQOR Q9Y6N5 7/20 0.56
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL30786742 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL19086309 0.83 SQOR (0.71) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL19086321 0.81 MEN1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL22208360 0.79 SQOR (0.72) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3075624 0.78 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5338892 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27525988 0.77 HPGD (0.56) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL17971409 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11193270 0.76 MEN1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL18556111 0.76 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP claimed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO claimed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 ALDH1A1 2828/4885MEN1 1892/4885KMT2A 1914/4885

“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.