SCHEMBL2980409

SCHEMBL2980409

CC(=O)Nc1cc(Cl)c2[nH]ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
P2RX7 Q99572 2/20 0.46
BTK Q06187 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
AURKA O14965 2/20 0.39
TPX2 Q9ULW0 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHUK O15111 1/20 0.37
PARP14 Q460N5 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 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
SCHEMBL2936486 0.85 BTK (0.47) ROCK2P2RX7BTKPIK3C3PRKCQ
SCHEMBL28025049 0.75 P2RX7 (0.44) P2RX7AURKATPX2ALDH1A1POLB
SCHEMBL15797379 0.74 AURKA (0.58) P2RX7AURKATPX2ALDH1A1KDM4E
SCHEMBL15797513 0.73 P2RX7 (0.54) P2RX7AURKATPX2
SCHEMBL11104454 0.72 ROCK2 (0.49) ROCK2BTKPIK3C3ALDH1A1POLB
SCHEMBL20939366 0.72 P2RX7 (0.42) P2RX7PRKCQPRKCDAURKATPX2
SCHEMBL25667793 0.72 BTK (0.46) ROCK2BTKPIK3C3ALDH1A1CA1
SCHEMBL14606476 0.71 ALDH1A1 (0.44) ROCK2ALDH1A1CA1CA2CA9
SCHEMBL28025050 0.71 P2RX7 (0.46) P2RX7AURKATPX2ALDH1A1LMNA
SCHEMBL18204014 0.71 P2RX7 (0.43) P2RX7PRKCQPRKCDAURKATPX2

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 7 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
CN-101466678-B Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP 2012-12-26 CN disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
CN-101466678-A Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-24 CN disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP 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

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 ROCK2 736/4885P2RX7 720/4885BTK 368/4885

“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.