SCHEMBL2144703

SCHEMBL2144703

Cc1cc([N+](=O)[O-])cc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.49
PIM3 Q86V86 5/20 0.44
PIM1 P11309 2/20 0.44
IDO1 P14902 4/20 0.43
TDO2 P48775 4/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 1/20 0.41
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 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
SCHEMBL22776908 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL2919924 0.76 TDP1 (0.50) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL2919457 0.76 IDO1 (0.49) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL2919257 0.76 NOS1 (0.49) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL2594220 0.75 NOS1 (0.44) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL4400129 0.73 NOS1 (0.57) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL20110644 0.73 MAPT (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL2921090 0.72 TDO2 (0.43) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL8404433 0.72 IDO1 (0.63) NOS1IDO1TDO2
SCHEMBL916214 0.71 ALDH1A1 (0.47) MAPTCYP3A4LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-113896744-A Selective EGFR inhibitor 成都先导药物开发股份有限公司 2022-01-07 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US 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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP 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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 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 (4 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 NOS1 705/4885MAPT 1496/4885CYP3A4 1118/4885
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 NOS1 520/4885MAPT 4663/4885CYP3A4 2761/4885
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K NOS1 1695/4885MAPT 4766/4885CYP3A4 3334/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NOS1 705/4885MAPT 1496/4885CYP3A4 1118/4885

“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.