SCHEMBL985185

SCHEMBL985185

NC(=O)c1cccc(-c2ccccn2)c1-c1nncn1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.45
GRM5 P41594 2/20 0.43
PARP1 P09874 2/20 0.40
MYLK Q15746 5/20 0.40
TNF P01375 8/20 0.39

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
SCHEMBL979098 0.85 MAP3K5 (0.42) MAP3K5MYLKTNF
SCHEMBL977782 0.77 MAP3K5 (0.41) MAP3K5
SCHEMBL29949306 0.77 MAP3K5 (0.49) MAP3K5MYLKTNF
SCHEMBL978873 0.72 MAP3K5 (0.41) MAP3K5MYLKTNF
SCHEMBL2943452 0.72 GRM5 (0.54) GRM5PARP1
SCHEMBL17386562 0.71 GRM5 (0.49) GRM5PARP1
SCHEMBL31249984 0.71 GRM5 (0.64) GRM5PARP1
SCHEMBL29506339 0.71 GRM5 (0.64) GRM5PARP1
SCHEMBL31249988 0.71 GRM5 (0.64) GRM5PARP1
SCHEMBL997865 0.71 GRM5 (0.64) GRM5PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MAP3K5 16/4885GRM5 2399/4885PARP1 578/4885

“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.