SCHEMBL13239592

SCHEMBL13239592

Cc1[nH]c2ncccc2c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 12/20 0.67
CCNB2 O95067 4/20 0.60
CDK1 P06493 4/20 0.60
CCNB1 P14635 4/20 0.60
CCNB3 Q8WWL7 4/20 0.60
CDK4 P11802 3/20 0.53
CDK2 P24941 3/20 0.53
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCD Q05655 1/20 0.51
RET P07949 1/20 0.49

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
SCHEMBL13007969 0.89 EIF2AK2 (0.60) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL3770545 0.76 CDK1 (1.00) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL3770549 0.76 CDK1 (1.00) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL6911490 0.75 CDK2 (0.80) EIF2AK2CDK4CDK2ABL1EGFR
SCHEMBL878757 0.75 AURKA (0.44) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL858414 0.74 IMPDH2 (0.50) CCNB2CDK1CCNB1CCNB3
SCHEMBL2544992 0.74 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14011244 0.72 CDK4 (0.57) EIF2AK2CDK4CDK2
SCHEMBL6106023 0.72 CDK2 (0.56) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL857451 0.72 ADORA2A (0.48) CCNB2CDK1CCNB1CCNB3

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 EIF2AK2 1680/4885CCNB2 24/4885CDK1 6/4885

“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.