SCHEMBL4072685

SCHEMBL4072685

O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ MAPT P10636 6/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ MAOA P21397 1/20 0.60
▸ MAOB P27338 1/20 0.60
▸ GAA P10253 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ MMP1 P03956 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MMP8 P22894 1/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MYOC Q99972 1/20 0.52

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
SCHEMBL4069889 0.81 GAA (0.64) MEN1KMT2AMAPTMAOBGAA
SCHEMBL27677502 0.80 RAB9A (0.63) MEN1KMT2AALDH1A1MAOBGAA
SCHEMBL4637913 0.79 CNR1 (0.77) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL20467625 0.78 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8104824 0.78 MEN1 (0.85) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL21643199 0.77 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8985359 0.76 NPC1 (0.59) MEN1KMT2AMAPTALDH1A1MAOA
SCHEMBL6943802 0.75 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL4733997 0.75 KMT2A (1.00) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5657581 0.75 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761268-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-07-08 — — EP disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
CN-101027305-A Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-08-29 — — CN disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 — — EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 — — EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MEN1 1216/4885KMT2A 953/4885MAPT 3021/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MEN1 2112/4885KMT2A 785/4885MAPT 1770/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MEN1 1216/4885KMT2A 953/4885MAPT 3021/4885

“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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