SCHEMBL13051119

SCHEMBL13051119

Fc1cccc(Nc2nccc(-c3c[nH]c4cnccc34)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
BCR P11274 1/20 0.55
SRC P12931 1/20 0.55
PRKCA P17252 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
PRKCD Q05655 1/20 0.55
CDK2 P24941 8/20 0.54
DYRK1B Q9Y463 6/20 0.54
DYRK1A Q13627 4/20 0.54
NFATC1 O95644 2/20 0.54
GSK3B P49841 1/20 0.54
CDK1 P06493 5/20 0.53
CCNB1 P14635 5/20 0.53
CCNB2 O95067 4/20 0.53
CCNB3 Q8WWL7 4/20 0.53
RET P07949 2/20 0.53
CDK4 P11802 1/20 0.52

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
SCHEMBL12723010 0.91 ABL1 (0.55) ABL1EGFRBCRSRCPRKCA
SCHEMBL13051120 0.87 ABL1 (0.58) ABL1EGFRBCRSRCPRKCA
SCHEMBL30847342 0.86 ABL1 (0.57) ABL1EGFRBCRSRCPRKCA
SCHEMBL27109944 0.86 ABL1 (0.57) ABL1EGFRBCRSRCPRKCA
SCHEMBL2542944 0.86 CCNB2 (0.67) ABL1EGFRBCRSRCPRKCA
SCHEMBL13051126 0.85 DYRK1B (0.60) ABL1EGFRBCRSRCPRKCA
SCHEMBL13051121 0.84 CDK2 (0.56) ABL1EGFRBCRSRCPRKCA
SCHEMBL13051124 0.84 EGFR (0.59) ABL1EGFRBCRSRCPRKCA
SCHEMBL13239597 0.83 RET (0.76) PRKACACDK2GSK3BCDK1CCNB1
SCHEMBL13051122 0.83 DYRK1B (0.52) ABL1EGFRBCRSRCPRKCA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 WO 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-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 ABL1 267/4885EGFR 2251/4885BCR 3369/4885

“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.