SCHEMBL700998

SCHEMBL700998

Cc1nc2ccccn2c1-c1ccnc(Nc2nnc(C(=O)NO)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
SYK P43405 1/20 0.43
CDK2 P24941 9/20 0.43
CCNE1 P24864 4/20 0.43
CDK4 P11802 4/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KLF5 Q13887 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL7975622 0.87 MAPK1 (0.46) XIAPBIRC2SYKCDK2CCNE1
SCHEMBL700160 0.86 SYK (0.46) XIAPBIRC2SYKCDK2CCNE1
SCHEMBL700609 0.81 CDK2 (0.47) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL700972 0.80 HDAC6 (0.47) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL700084 0.80 XIAP (0.45) XIAPBIRC2SYKCDK2CCNE1
SCHEMBL701624 0.80 XIAP (0.49) XIAPBIRC2SYKCDK2CCNE1
SCHEMBL7964791 0.77 MAPK1 (0.47) XIAPBIRC2SYKCDK2CCNE1
SCHEMBL7978508 0.75 CDK2 (0.51) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL7975428 0.74 CDK2 (0.47) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL10252455 0.74 CDK2 (0.45) XIAPBIRC2SYKCDK2CCNE1

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 6 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 claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
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

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 XIAP 1189/4885BIRC2 1162/4885SYK 3840/4885

“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.