SCHEMBL1840937

SCHEMBL1840937

Nc1nccc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PSMD14 O00487 1/20 0.48
PRKACA P17612 1/20 0.48
CASP6 P55212 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
NOD2 Q9HC29 1/20 0.43
HPRT1 P00492 1/20 0.43
MGMT P16455 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL17555611 0.87 MAPT (0.44) MEN1KMT2APSMD14PRKACACASP6
SCHEMBL18131070 0.84 HTT (0.46) MEN1KMT2APSMD14PRKACACASP6
SCHEMBL17555750 0.81 HTT (0.48) MEN1KMT2APSMD14PRKACACASP6
SCHEMBL1840418 0.80 MAP4K4 (0.40) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL4930996 0.80 DYRK1A (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1841420 0.80 ALDH1A1 (0.44) MEN1KMT2APSMD14PRKACACASP6
SCHEMBL1839553 0.80 ALDH1A1 (0.44) MEN1KMT2APSMD14PRKACACASP6
SCHEMBL18131092 0.80 SMN1; SMN2 (0.50) KMT2ALMNASMN1; SMN2MAPTALDH1A1
SCHEMBL17555748 0.80 MAPT (0.49) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL4937390 0.79 RAB9A (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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

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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF MEN1 4623/4885KMT2A 3380/4885PSMD14 4135/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF MEN1 4623/4885KMT2A 3380/4885PSMD14 4135/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MEN1 2090/4885KMT2A 139/4885PSMD14 1907/4885

“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.