SCHEMBL10125408

SCHEMBL10125408

Clc1cnc2[nH]ccc2c1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
NQO1 P15559 1/20 0.40
NQO2 P16083 1/20 0.40
AXL P30530 3/20 0.38
PRKCI P41743 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCD Q05655 1/20 0.38
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
DHPS P49366 1/20 0.36
APP P05067 2/20 0.35
CYP19A1 P11511 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL28596883 0.83 CLK1 (0.47) CCNT1CCNA2CDK2CDK9CLK1
SCHEMBL30173282 0.83 CLK1 (0.47) CCNT1CCNA2CDK2CDK9CLK1
SCHEMBL10125072 0.75 CCNK (0.46) CCNKCDK12AXLPRKCITTBK1
SCHEMBL10125092 0.75 PRKCI (0.51) CCNKCDK12AXLPRKCITTBK1
SCHEMBL101422 0.75 CDK9 (0.54) CCNKCDK12CCNT1CCNA2CDK2
SCHEMBL12346324 0.74 CCNK (0.48) CCNKCDK12AXLPRKCITTBK1
SCHEMBL3967588 0.74 PGK1 (0.38) CCNT1CCNA2CDK2CDK9CLK1
SCHEMBL1724114 0.73 CCNK (0.56) CCNKCDK12CDK9DYRK1AAXL
SCHEMBL858420 0.73 CDK8 (0.59) CCNT1CCNA2CDK2CDK9DYRK1A
SCHEMBL14494032 0.73 CCNK (0.50) CCNKCDK12CDK9DYRK1AAXL

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 6 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
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 (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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 CCNK 597/4885CDK12 577/4885CCNT1 2139/4885

“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.