SCHEMBL21379451

SCHEMBL21379451

COC(=O)CN(C(=O)OC(C)(C)C)c1c([N+](=O)[O-])cc(C)c(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ PDGFRB P09619 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HTT P42858 2/20 0.35
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NR1D1 P20393 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ PKM P14618 2/20 0.32
▸ VCAM1 P19320 1/20 0.32

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
SCHEMBL28723913 0.90 CYP1A2 (0.45) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL19775901 0.85 PDGFRB (0.42) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18424588 0.84 PDGFRB (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19782750 0.83 CYP1A2 (0.50) CYP1A2HTTALDH1A1MEN1KMT2A
SCHEMBL21942179 0.81 LMNA (0.36) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL19783049 0.81 PDGFRB (0.34) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL21459897 0.81 CYP1A2 (0.47) CYP1A2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL22341951 0.80 PDGFRB (0.37) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30189934 0.80 PDGFRB (0.37) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL21407959 0.74 GPR35 (0.35) ALDH1A1GAANR1D1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CYP1A2 176/4885PDGFRB 368/4885FGFR1 1024/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP1A2 200/4885PDGFRB 494/4885FGFR1 1590/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP1A2 176/4885PDGFRB 368/4885FGFR1 1024/4885

“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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