SCHEMBL13239585

SCHEMBL13239585

COCCNc1nccc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.70
CDK9 P50750 5/20 0.70
CCNT1 O60563 4/20 0.70
CCNA2 P20248 4/20 0.70
RET P07949 9/20 0.60
CCNB2 O95067 7/20 0.60
CDK1 P06493 7/20 0.60
CCNB1 P14635 7/20 0.60
CCNB3 Q8WWL7 7/20 0.60
CDC7 O00311 4/20 0.60
PRKACA P17612 4/20 0.60
GSK3B P49841 4/20 0.60
HIPK2 Q9H2X6 4/20 0.60
IRAK4 Q9NWZ3 4/20 0.60
MAP4K4 O95819 3/20 0.60
MKNK2 Q9HBH9 3/20 0.60
ROCK2 O75116 2/20 0.60
PIM1 P11309 3/20 0.59
CDK7 P50613 1/20 0.59
CLK4 Q9HAZ1 1/20 0.56

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
SCHEMBL1044957 0.84 CDC7 (0.69) CDK2CDK9CCNT1CCNA2RET
SCHEMBL8939628 0.84 CDK2 (0.69) CDK2CDK9CCNT1CCNA2RET
SCHEMBL13239582 0.80 CCNB2 (0.71) CDK2CDK9CCNT1CCNA2RET
SCHEMBL1668583 0.80 CDK2 (0.80) CDK2CDK9CCNT1CCNA2RET
SCHEMBL15172141 0.79 CDK2 (0.68) CDK2CDK9CCNT1CCNA2RET
SCHEMBL12572866 0.78 CDK2 (0.61) CDK2CDK9CCNT1CCNA2RET
SCHEMBL15172140 0.78 CDK2 (0.70) CDK2CDK9CCNT1CCNA2RET
SCHEMBL2534119 0.77 CDC7 (0.68) CDK2CDK9CCNT1CCNA2CDC7
SCHEMBL3250044 0.77 CDK1 (0.59) CDK2RETCCNB2CDK1CCNB1
SCHEMBL3776459 0.77 CDK1 (0.77) CDK2CDK9CCNT1CCNA2RET

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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
WO-2007107221-A1 4-(PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-09-27 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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 CDK2 4/4885CDK9 52/4885CCNT1 3/4885

“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.