SCHEMBL7977600

SCHEMBL7977600

Cc1nc2ccc(C(F)(F)F)cn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.53
CDK4 P11802 5/20 0.53
CCNE1 P24864 4/20 0.53
AURKA O14965 4/20 0.48
CAMK2D Q13557 2/20 0.47
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
GSK3B P49841 2/20 0.44
HDAC1 Q13547 1/20 0.43
MAPK8 P45983 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
AURKB Q96GD4 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
SCHEMBL700146 0.92 CDK2 (0.49) CDK2CDK4CCNE1CAMK2DGSK3B
SCHEMBL7980219 0.88 KDR (0.48) CDK2CDK4CCNE1GSK3BHDAC1
SCHEMBL7977441 0.86 CDK2 (0.54) CDK2CDK4CCNE1AURKACAMK2D
SCHEMBL700829 0.85 HDAC1 (0.64) CDK2CDK4CCNE1HDAC1
SCHEMBL7964780 0.85 CDK2 (0.54) CDK2CDK4CCNE1AURKACAMK2D
SCHEMBL7965034 0.84 CDK2 (0.53) CDK2CDK4CCNE1AURKACAMK2D
SCHEMBL10251823 0.83 CDK2 (0.44) CDK2CDK4CCNE1GSK3BHDAC1
SCHEMBL1684693 0.81 CDK2 (0.80) CDK2CDK4CCNE1AURKACAMK2D
SCHEMBL3809864 0.81 CFTR (0.56) CDK2GSK3BMAPK8
SCHEMBL7989402 0.81 CDK2 (0.50) CDK2CDK4CCNE1AURKACAMK2D

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-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
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 15/4885CCNE1 75/4885

“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.