SCHEMBL2177712

SCHEMBL2177712

Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
NPC1 O15118 8/20 0.65
RAB9A P51151 7/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
AHR P35869 1/20 0.54
PAX8 Q06710 1/20 0.54
ALDH1A1 P00352 1/20 0.52
IDO1 P14902 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2177925 0.86 MAPT (0.69) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5022935 0.85 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL10815946 0.85 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL29241859 0.85 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL10812183 0.85 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL11435594 0.84 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL20603943 0.84 MAPT (0.65) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2781396 0.84 NPC1 (0.67) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL3262241 0.84 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6796759 0.84 MAPT (0.56) MAPTNPC1RAB9ANFKB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027109-A Single-molecule white light iridium complex, preparation method and application thereof, and light-emitting device 清华大学深圳国际研究生院 2024-05-14 CN disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
EP-2298356-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2011-03-23 EP disclosed
US-4698430-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1987-10-06 US disclosed
US-4558132-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US disclosed
EP-0099614-A2 Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-02-01 EP 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 MAPT 2905/4885NPC1 1758/4885RAB9A 2076/4885

“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.