SCHEMBL7976301

SCHEMBL7976301

COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ncccn34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
CDK2 P24941 7/20 0.53
CDK4 P11802 4/20 0.53
CCNE1 P24864 4/20 0.53
MAPT P10636 5/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 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
SCHEMBL1684778 0.90 CDK2 (0.54) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL7980905 0.90 CDK2 (0.57) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL13498489 0.90 HDAC1 (0.51) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL10251884 0.89 MAPK8 (0.56) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL700934 0.88 HDAC1 (0.57) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL7978525 0.86 CDK2 (0.73) HDAC1CDK2CDK4CCNE1MEN1
SCHEMBL1684528 0.85 MAPT (0.67) CDK2CDK4CCNE1MAPTGAA
SCHEMBL1684656 0.85 MAPT (0.65) HDAC1CDK2CDK4CCNE1MAPT
SCHEMBL7987993 0.84 CDK2 (0.51) HDAC1CDK2CDK4CCNE1MEN1
SCHEMBL7977122 0.83 CDK2 (0.50) CDK2CDK4CCNE1MEN1KMT2A

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 HDAC1 1/4885CDK2 16/4885CDK4 15/4885

“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.