SCHEMBL3320170

SCHEMBL3320170

O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccc1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL6494650 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL15910713 0.76 PNMT (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3321993 0.76 GAA (0.40) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL1997187 0.75 MAPT (0.50) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL7029422 0.75 CASP1 (0.48) MEN1KMT2ACASP1CASP3CASP4
SCHEMBL654959 0.73 ALDH1A1 (0.45) MEN1KMT2ACASP3ALDH1A1MAPT
SCHEMBL3596541 0.72 MAPK1 (0.47) MEN1KMT2ACASP1CASP3CASP4
SCHEMBL6291722 0.71 GRIN2B (0.55) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL6296037 0.71 DRD4 (0.54) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL8186681 0.70 GRIN2B (0.54) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20070238875-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-10-11 US disclosed
US-20070015775-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-01-18 US disclosed
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 CN disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 US disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
CN-1230187-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 1999-09-29 CN 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 (11 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 MEN1 215/4885KMT2A 385/4885CASP1 1167/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 MEN1 3421/4885KMT2A 2440/4885CASP1 4290/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 MEN1 244/4885KMT2A 1511/4885CASP1 1998/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MEN1 2579/4885KMT2A 1174/4885CASP1 3042/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK MEN1 2117/4885KMT2A 1161/4885CASP1 1250/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 MEN1 1942/4885KMT2A 693/4885CASP1 2976/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC MEN1 2579/4885KMT2A 1174/4885CASP1 3042/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MEN1 2579/4885KMT2A 1174/4885CASP1 3042/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MEN1 2579/4885KMT2A 1174/4885CASP1 3042/4885
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA MEN1 3232/4885KMT2A 2665/4885CASP1 1922/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 MEN1 244/4885KMT2A 1511/4885CASP1 1998/4885

“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.