SCHEMBL1679489

SCHEMBL1679489

[c]1cc2c(nn1)-c1ccccc1OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 9/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.39
MAPT P10636 6/20 0.38
RAB9A P51151 2/20 0.38
HRH1 P35367 3/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2B P41595 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALPL P05186 1/20 0.38
SLC22A1 O15245 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 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
SCHEMBL467458 0.84 NPY5R (0.42) KMT2AALDH1A1KDM4EGAALMNA
SCHEMBL152894 0.76 KDM4E (0.41) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL9780121 0.74 KMT2A (0.44) KMT2AMAOAMAOBALDH1A1KDM4E
SCHEMBL118747 0.73 DRD4 (0.45) MAOAMAOBTHRBDRD4TSHR
SCHEMBL30276323 0.73 KMT2A (0.46) KMT2AMAOAMAOBALDH1A1KDM4E
SCHEMBL29395306 0.72 MAOB (0.60) KMT2AMAOAMAOBALDH1A1KDM4E
SCHEMBL132696 0.72 MAOB (0.60) KMT2AMAOAMAOBALDH1A1KDM4E
SCHEMBL29799860 0.72 MAOB (0.60) KMT2AMAOAMAOBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL572068 0.70 MAOB (0.58) KMT2AMAOAMAOBALDH1A1KDM4E
Methane SCHEMBL29238124 0.70 MAOB (0.58) KMT2AMAOAMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-9133097-B2 Use of unsaturated sphingosine compounds as chemotherapeutic agents for the treatment of cancer CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2015-09-15 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-20150051207-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8741967-B2 Use of unsaturated sphingosine compounds as chemotherapeutic agents for the treatment of cancer CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2014-06-03 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20110098317-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2011-04-28 US disclosed
EP-2079736-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2009076598-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2009-06-18 WO disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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 (6 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK KMT2A 2917/4885MAOA 1587/4885MAOB 1404/4885
US-20150051207-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER SGMS1, SPHK1, S1PR3 KMT2A 4126/4885MAOA 4453/4885MAOB 3439/4885
US-20110098317-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER SGMS1, SPHK1, SPHK2 KMT2A 4026/4885MAOA 4496/4885MAOB 3521/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885MAOA 1587/4885MAOB 1404/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885MAOA 1587/4885MAOB 1404/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 KMT2A 1602/4885MAOA 3154/4885MAOB 2878/4885

“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.