SCHEMBL7964840

SCHEMBL7964840

Cc1nc2ccccn2c1-c1ccnc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 1.00
CDK4 P11802 6/20 1.00
MAP3K14 Q99558 2/20 0.67
CCNE1 P24864 5/20 0.64
PIK3CD O00329 1/20 0.64
PIK3R1 P27986 1/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
HDAC1 Q13547 2/20 0.49
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IGF1R P08069 1/20 0.46
CDK1 P06493 1/20 0.45

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
SCHEMBL21208238 0.85 CDK2 (0.74) CDK2CDK4MAP3K14CCNE1PIK3CD
SCHEMBL412361 0.83 CDK2 (0.71) CDK2CDK4MAP3K14CCNE1PIK3CD
SCHEMBL3769721 0.83 CDK2 (0.71) CDK2CDK4MAP3K14CCNE1PIK3CD
SCHEMBL13052575 0.83 CDK2 (0.71) CDK2CDK4MAP3K14CCNE1PIK3CD
SCHEMBL27584973 0.81 CDK2 (0.67) CDK2CDK4MAP3K14CCNE1ALDH1A1
SCHEMBL409900 0.80 CDK4 (0.66) CDK2CDK4MAP3K14CCNE1ALDH1A1
SCHEMBL4317834 0.78 CDK2 (1.00) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208142 0.77 CDK2 (0.62) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL25611643 0.77 CDK2 (0.64) CDK2CDK4
SCHEMBL412494 0.76 CDK2 (0.60) CDK2CDK4MAP3K14CCNE1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CDK4 15/4885MAP3K14 326/4885

“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.