SCHEMBL14673100

SCHEMBL14673100

O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1ccc(F)c(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.65
MAP3K6 O95382 1/20 0.59

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
SCHEMBL945463 0.91 MAP3K5 (0.66) MAP3K5MAP3K6
SCHEMBL945933 0.91 MAP3K5 (0.78) MAP3K5MAP3K6
SCHEMBL14673016 0.89 MAP3K5 (0.69) MAP3K5MAP3K6
SCHEMBL947209 0.88 MAP3K5 (0.65) MAP3K5MAP3K6
SCHEMBL947638 0.87 MAP3K5 (0.76) MAP3K5MAP3K6
SCHEMBL14672778 0.86 MAP3K5 (0.68) MAP3K5MAP3K6
SCHEMBL14672907 0.86 MAP3K5 (0.79) MAP3K5MAP3K6
SCHEMBL945966 0.85 MAP3K5 (0.63) MAP3K5MAP3K6
SCHEMBL14672856 0.85 MAP3K5 (0.61) MAP3K5MAP3K6
SCHEMBL14672961 0.85 MAP3K5 (0.78) MAP3K5MAP3K6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US claimed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US claimed

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-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 MAP3K5 13/4885MAP3K6 3/4885

“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.