SCHEMBL14321691

SCHEMBL14321691

CC(C)(C)NC(=O)n1ccc2c(Br)cnc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14321915 0.86 BCHE (0.33) BCHEGAAANO1P2RX4
SCHEMBL2369513 0.78 PARP1 (0.36) —
SCHEMBL14321964 0.70 ALDH1A1 (0.32) CNR1
SCHEMBL30923855 0.68 BUB1 (0.36) BCHEMEN1NPC1RAB9AKMT2A
SCHEMBL30923857 0.68 BUB1 (0.36) BCHEMEN1NPC1RAB9AKMT2A
SCHEMBL19278216 0.67 ABL1 (0.36) GAA
SCHEMBL16475117 0.66 ALDH1A1 (0.35) —
SCHEMBL23291994 0.64 GABRG2 (0.39) BCHE
SCHEMBL12033243 0.63 BUB1 (0.35) BCHE
SCHEMBL14321692 0.62 ALDH1A1 (0.30) —

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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 — — 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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES MET, KRAS, VHL BCHE 4322/4885GAA 2465/4885ANO1 1244/4885

“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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