SCHEMBL7975622

SCHEMBL7975622

CCOC(=O)c1nnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
P2RY1 P47900 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK2 P24941 5/20 0.41
CCNE1 P24864 4/20 0.41
CDK4 P11802 3/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
OGA O60502 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL7964791 0.87 MAPK1 (0.47) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL700998 0.87 XIAP (0.44) MAPK1SMN1; SMN2CDK2CCNE1CDK4
SCHEMBL700160 0.77 SYK (0.46) MAPK1SMN1; SMN2CDK2CCNE1CDK4
SCHEMBL7975428 0.75 CDK2 (0.47) SMN1; SMN2CDK2CCNE1CDK4XIAP
SCHEMBL7978465 0.75 CDK2 (0.47) MAPK1CDK2CCNE1CDK4XIAP
SCHEMBL7975631 0.74 CDK2 (0.44) MAPK1CDK2CCNE1CDK4XIAP
SCHEMBL10252168 0.74 XIAP (0.47) MAPK1CDK2CCNE1CDK4XIAP
SCHEMBL7978508 0.73 CDK2 (0.51) SMN1; SMN2CDK2CCNE1CDK4XIAP
SCHEMBL7964374 0.72 XIAP (0.48) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL700609 0.72 CDK2 (0.47) SMN1; SMN2CDK2CCNE1CDK4XIAP

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 MAPK1 634/4885P2RY1 4718/4885SMN1; SMN2 3263/4885

“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.