SCHEMBL1146475

SCHEMBL1146475

Cc1c(N)cc(Cl)c2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
CD44 P16070 1/20 0.38
AURKA O14965 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
GAA P10253 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
AHR P35869 1/20 0.33
RHEB Q15382 1/20 0.33
AXL P30530 2/20 0.33
PRKCI P41743 2/20 0.33
CCR8 P51685 1/20 0.32

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
SCHEMBL2936176 0.81 CFB (0.41) P2RX7ALDH1A1PRKCQPRKCDGAA
SCHEMBL20939366 0.81 P2RX7 (0.42) P2RX7AURKATPX2PRKCQPRKCD
SCHEMBL2123165 0.78 P2RX7 (0.41) P2RX7AURKATPX2PRKCQPRKCD
SCHEMBL19418745 0.77 ACHE (0.39) ALDH1A1GAARHEB
SCHEMBL23916844 0.73 P2RX7 (0.36) P2RX7AURKATPX2PRKCQPRKCD
SCHEMBL15797379 0.73 AURKA (0.58) P2RX7AURKATPX2ALDH1A1TSHR
SCHEMBL31078861 0.72 GRIN2D (0.46) AURKATPX2ALDH1A1GRIN2DGRIN3B
SCHEMBL28025049 0.70 P2RX7 (0.44) P2RX7AURKATPX2ALDH1A1GAA
SCHEMBL15102902 0.70 CCR8 (0.40) P2RX7AURKATPX2ALDH1A1AHR
SCHEMBL18204014 0.69 P2RX7 (0.43) P2RX7AURKATPX2ALDH1A1PRKCQ

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-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO 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 (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-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors CNKSR1, CSNK1G3, GRK3 P2RX7 937/4885CD44 4689/4885AURKA 449/4885
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 P2RX7 720/4885CD44 4858/4885AURKA 626/4885

“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.