SCHEMBL10124939

SCHEMBL10124939

COc1ccc(OC)c(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.61
CCNK O75909 4/20 0.57
CDK12 Q9NYV4 4/20 0.57
CDK9 P50750 2/20 0.52
CCNT1 O60563 1/20 0.52
NUDT1 P36639 2/20 0.47
CIT O14578 1/20 0.47
ROCK1 Q13464 4/20 0.47
AURKB Q96GD4 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL12346480 0.89 BRD4 (0.61) BRD4CCNKCDK12CDK9CCNT1
SCHEMBL12346388 0.85 BRD4 (0.60) BRD4CCNKCDK12CDK9CCNT1
SCHEMBL10125111 0.85 BRD4 (0.60) BRD4CDK9CCNT1
SCHEMBL858602 0.81 BRD4 (0.62) BRD4CCNKCDK12CDK9CCNT1
SCHEMBL878911 0.80 IKBKB (0.64) BRD4CCNKCDK12CDK9NUDT1
SCHEMBL858227 0.79 BRD4 (0.75) BRD4CCNKCDK12CDK9NUDT1
SCHEMBL12127494 0.78 BRD4 (0.70) BRD4CCNKCDK12CDK9NUDT1
SCHEMBL857153 0.78 NUDT1 (0.64) BRD4CCNKCDK12CDK9NUDT1
SCHEMBL29889410 0.77 BRD4 (0.54) BRD4CCNKCDK12CDK9NUDT1
SCHEMBL1328773 0.77 BRD4 (0.48) BRD4CCNKCDK12ROCK1PRKCI

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
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 BRD4 1599/4885CCNK 313/4885CDK12 307/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 BRD4 748/4885CCNK 597/4885CDK12 577/4885

“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.