SCHEMBL12838095

SCHEMBL12838095

Cc1cc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cc(C)n2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 12/20 0.55
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ DEGS1 O15121 1/20 0.45
▸ RECQL P46063 1/20 0.44
▸ ADCY8 P40145 1/20 0.44
▸ ADCY1 Q08828 1/20 0.44
▸ RET P07949 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ MERTK Q12866 1/20 0.43

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
SCHEMBL1523962 0.88 MAP3K5 (0.54) MAP3K5MEN1KMT2ANPC1TP53
SCHEMBL13654263 0.83 MAP3K5 (0.55) MAP3K5MEN1KMT2ANPC1TP53
SCHEMBL1017496 0.80 MAP3K5 (0.46) MAP3K5MEN1KMT2ANPC1TP53
SCHEMBL1523615 0.79 MAP3K5 (0.51) MAP3K5KMT2A
SCHEMBL1523586 0.78 MAP3K5 (0.45) MAP3K5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL1524769 0.78 MAP3K5 (0.45) MAP3K5MEN1KMT2ANPC1TP53
SCHEMBL1524613 0.78 MAP3K5 (0.46) MAP3K5MEN1KMT2A
SCHEMBL1523792 0.78 MAP3K5 (0.47) MAP3K5MEN1KMT2AMAPTRECQL
SCHEMBL13654498 0.77 MAP3K5 (0.47) MAP3K5MEN1KMT2ATP53MAPT
SCHEMBL1523798 0.77 MAP3K5 (0.47) MAP3K5MEN1KMT2ANPC1TP53

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-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 — — 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-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 11/4885MEN1 3290/4885KMT2A 4048/4885

“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.

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