SCHEMBL1784987

SCHEMBL1784987

COC(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3C)nc3nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PTK2 Q05397 9/20 0.45
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1782591 0.85 PTK2 (0.49) MAPTMAPK1PTK2MEN1KMT2A
SCHEMBL1782535 0.85 BTK (0.48) MAPTKMT2AALDH1A1KDM4E
SCHEMBL13536504 0.78 BTK (0.49) MAPTMAPK1NPC1NFKB1RAB9A
SCHEMBL1782749 0.76 BTK (0.46) PTK2
SCHEMBL1783861 0.71 BTK (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6797863 0.71 MAPT (0.78) MAPTMAPK1NPC1NFKB1RAB9A
SCHEMBL1786066 0.69 BTK (0.44) MAPTKMT2AALDH1A1
SCHEMBL12611924 0.69 BTK (0.50) MAPTMAPK1NPC1NFKB1RAB9A
SCHEMBL1783096 0.67 BTK (0.49) PTK2
SCHEMBL3311997 0.66 ALDH1A1 (0.49) MAPTMAPK1NPC1NFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476430-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2323665-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-06-19 EP disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
EP-2323665-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2011-05-25 EP disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 WO 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-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 MAPT 4394/4885MAPK1 174/4885NPC1 4412/4885

“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.