SCHEMBL10125072

SCHEMBL10125072

Clc1ccc(-c2c(Cl)cnc3[nH]ccc23)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
PRKCI P41743 3/20 0.44
AXL P30530 2/20 0.44
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
CYP2A6 P11509 1/20 0.35
TTBK1 Q5TCY1 2/20 0.35
TTBK2 Q6IQ55 2/20 0.35
RPS6KA3 P51812 2/20 0.33
NUDT1 P36639 2/20 0.33
TYK2 P29597 2/20 0.32
JAK3 P52333 1/20 0.32
ROCK1 Q13464 1/20 0.32
EGFR P00533 1/20 0.32
KDM1A O60341 1/20 0.32
MAPK1 P28482 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
SCHEMBL10125092 0.88 PRKCI (0.51) CCNKCDK12PRKCIAXLJAK2
SCHEMBL10125053 0.80 AXL (0.40) CCNKCDK12PRKCIAXLJAK2
SCHEMBL12346324 0.78 CCNK (0.48) CCNKCDK12PRKCIAXLJAK2
SCHEMBL10125408 0.75 CCNK (0.44) CCNKCDK12PRKCIAXLJAK2
SCHEMBL12347998 0.74 AXL (0.47) CCNKCDK12PRKCIAXLJAK2
SCHEMBL2239821 0.74 PRKCI (0.53) CCNKCDK12PRKCIAXLJAK2
SCHEMBL1724114 0.73 CCNK (0.56) CCNKCDK12PRKCIAXLJAK2
SCHEMBL1724051 0.73 CCNK (0.49) CCNKCDK12PRKCIAXLJAK2
SCHEMBL1356886 0.71 PRKCI (0.67) CCNKCDK12PRKCIAXLJAK2
SCHEMBL858281 0.70 CDK8 (0.54) AXLJAK2RPS6KA3NUDT1JAK3

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
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
EP-2354139-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 577/4885PRKCI 23/4885

“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.