SCHEMBL10125053

SCHEMBL10125053

CC(=O)c1ccc(-c2c(Cl)cnc3[nH]ccc23)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
PRKCI P41743 2/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 1/20 0.36
RPS6KA3 P51812 2/20 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
SCHEMBL10125092 0.83 PRKCI (0.51) AXLPRKCICCNKCDK12JAK2
SCHEMBL10125072 0.80 CCNK (0.46) AXLPRKCICCNKCDK12CYP2A6
SCHEMBL4791074 0.75 AKT1 (0.58) PRKCICYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL12346324 0.70 CCNK (0.48) AXLPRKCICCNKCDK12JAK2
SCHEMBL12347998 0.70 AXL (0.47) AXLPRKCICCNKCDK12JAK2
SCHEMBL2601272 0.69 CCNK (0.47) AXLPRKCICCNKCDK12JAK2
SCHEMBL10125408 0.68 CCNK (0.44) AXLPRKCICCNKCDK12CYP3A4
SCHEMBL27939132 0.68 AXL (0.46) AXLPRKCICCNKCDK12CYP3A4
SCHEMBL25258364 0.66 AXL (0.47) AXLPRKCICCNKCDK12JAK2
SCHEMBL1724114 0.66 CCNK (0.56) AXLPRKCICCNKCDK12JAK2

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-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 (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 AXL 1619/4885PRKCI 23/4885CCNK 597/4885

“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.