SCHEMBL7987993

SCHEMBL7987993

COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4c(F)cccn34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.51
CDK4 P11802 5/20 0.51
CCNE1 P24864 5/20 0.51
AURKA O14965 2/20 0.48
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
CDK1 P06493 1/20 0.45
SYK P43405 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 2/20 0.42
CAMK2D Q13557 1/20 0.42

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
SCHEMBL7991702 0.90 CDK2 (0.55) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL13498481 0.90 CDK2 (0.47) CDK2CDK4CCNE1AURKAJAK1
SCHEMBL7977122 0.90 CDK2 (0.50) CDK2CDK4CCNE1AURKACDK1
SCHEMBL699931 0.89 CAMK2D (0.53) CDK2CDK4CCNE1AURKAJAK1
SCHEMBL7978525 0.84 CDK2 (0.73) CDK2CDK4CCNE1AURKACDK1
SCHEMBL7976301 0.84 HDAC1 (0.53) CDK2CDK4CCNE1AURKACDK1
SCHEMBL700852 0.84 HDAC1 (0.62) CDK2CDK4CCNE1ABL1HDAC1
SCHEMBL7978167 0.82 AURKA (0.56) CDK2CDK4CCNE1AURKACDK1
SCHEMBL7975457 0.80 CDK2 (0.55) CDK2CDK4CCNE1AURKACDK1
SCHEMBL699276 0.80 CAMK2D (0.50) CDK2CDK4CCNE1AURKAJAK1

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 4 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
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.