SCHEMBL7980905

SCHEMBL7980905

Cc1nc2ncccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.57
CDK4 P11802 4/20 0.57
CCNE1 P24864 3/20 0.57
GAA P10253 5/20 0.55
HDAC1 Q13547 1/20 0.54
CAMK2D Q13557 2/20 0.54
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51

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 0.92 CDK2 (0.54) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL10251884 0.91 MAPK8 (0.56) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL7976301 0.90 HDAC1 (0.53) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL700934 0.90 HDAC1 (0.57) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL1684656 0.87 MAPT (0.65) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL13498489 0.86 HDAC1 (0.51) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL1684693 0.85 CDK2 (0.80) CDK2CDK4CCNE1HDAC1CAMK2D
SCHEMBL1684728 0.85 CDK2 (0.58) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL1684749 0.85 CDK2 (0.58) CDK2CDK4CCNE1GAAHDAC1
SCHEMBL7991702 0.84 CDK2 (0.55) CDK2CDK4CCNE1CAMK2DGSK3B

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-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 15/4885CCNE1 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.