SCHEMBL1717432

SCHEMBL1717432

c1cc(NCc2ccc3c(c2)OCO3)nc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.63
CDK9 P50750 5/20 0.63
CLK4 Q9HAZ1 11/20 0.45
DYRK1A Q13627 6/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRAF P15056 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL1724576 0.78 ROCK1 (0.56) CCNT1CDK9CLK4DYRK1ACYP1A2
SCHEMBL16039321 0.78 CDK9 (1.00) CCNT1CDK9
SCHEMBL1718153 0.75 CDK9 (0.60) CCNT1CDK9CLK4DYRK1ACYP1A2
SCHEMBL12347990 0.75 PRKCI (0.56) CCNT1CDK9CLK4DYRK1ABRAF
SCHEMBL1718347 0.74 PRKCI (0.45) CCNT1CDK9CLK4DYRK1ATP53
SCHEMBL12127485 0.72 PRKCI (0.65) CDK9CLK4DYRK1AAURKACLK1
SCHEMBL14493857 0.72 PRKCI (0.52) CCNT1CDK9CLK4DYRK1ABRAF
SCHEMBL1044409 0.70 ROCK2 (0.71) CDK9CLK4DYRK1AMAPK1RPS6KB1
SCHEMBL4793905 0.70 NUDT1 (0.52) CDK9CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL1718191 0.70 CCNT1 (0.53) CCNT1CDK9SMN1; SMN2AURKA

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 12 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
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-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
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
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 CCNT1 2139/4885CDK9 241/4885CLK4 973/4885

“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.