SCHEMBL4619784

SCHEMBL4619784

O=[N+]([O-])c1ncccc1OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.84
MEN1 O00255 3/20 0.84
NPC1 O15118 5/20 0.67
RAB9A P51151 3/20 0.67
LTA4H P09960 1/20 0.55
MAPK14 Q16539 1/20 0.55
PPIA P62937 2/20 0.53
PPIF P30405 1/20 0.53
S1PR4 O95977 1/20 0.52
ATM Q13315 1/20 0.52
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5531567 0.84 KMT2A (0.61) KMT2AMEN1NPC1RAB9ALTA4H
SCHEMBL488892 0.83 KMT2A (0.68) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL26917116 0.83 NPC1 (0.65) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL29857951 0.83 NPC1 (0.65) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL26916583 0.83 KMT2A (0.64) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL8566190 0.81 KMT2A (0.58) KMT2AMEN1NPC1RAB9ALTA4H
SCHEMBL488659 0.80 NPC1 (0.64) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL10560805 0.80 KMT2A (0.60) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL10565139 0.80 KMT2A (0.60) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL488438 0.80 KMT2A (0.60) KMT2AMEN1NPC1RAB9AS1PR4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7109260-A None JP disclosed
CN-114671867-B Preparation method of tocartinib intermediate 7-hydroxy- [1,2,4] triazolo [1,5-a ] pyridine 上海法默生物科技有限公司 2023-09-19 CN disclosed
CN-114671867-A Preparation method of 7-hydroxy- [1,2,4] triazolo [1,5-a ] pyridine serving as intermediate of tocainib 上海法默生物科技有限公司 2022-06-28 CN disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
CN-101023064-B Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors PFIZER 2011-02-16 CN disclosed
US-7858643-B2 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
JP-H07109260-A PRODUCTION OF 5-AMINO-2-NITROPYRIDINE DERIVATIVE AND 5-DIAMOND-3-HYDROXYPYRIDINE DERIVATIVE FUJI PHOTO FILM CO LTD 1995-04-25 JP disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 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-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 KMT2A 1159/4885MEN1 776/4885NPC1 2029/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 KMT2A 1170/4885MEN1 1141/4885NPC1 3437/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 KMT2A 1159/4885MEN1 776/4885NPC1 2029/4885

“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.