SCHEMBL2144142

SCHEMBL2144142

COc1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
MEN1 O00255 5/20 0.59
MAPT P10636 4/20 0.59
CRHBP P24387 2/20 0.59
CRHR2 Q13324 2/20 0.59
TP53 P04637 1/20 0.58
HTR1A P08908 1/20 0.50
EGFR P00533 2/20 0.49
IGF1R P08069 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
NPBWR1 P48145 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL31373478 0.81 NPC1 (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL26650819 0.81 NPC1 (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL3267478 0.80 MAPT (0.60) KMT2AMEN1MAPTTP53HTR1A
SCHEMBL13713696 0.79 MAPT (0.57) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL20595736 0.79 MAPT (0.57) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL13390879 0.79 MAPT (0.57) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL26608015 0.79 KMT2A (1.00) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7097532 0.79 HTR1A (0.50) KMT2AMAPTHTR1ASMN1; SMN2HTT
SCHEMBL346269 0.78 KMT2A (0.67) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL21185891 0.76 KMT2A (0.54) KMT2ANPC1RAB9AMEN1MAPT

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-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KMT2A 569/4885NPC1 2430/4885RAB9A 3263/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KMT2A 569/4885NPC1 2430/4885RAB9A 3263/4885

“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.