SCHEMBL2436313

SCHEMBL2436313

COc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 1/20 0.55
GFER P55789 1/20 0.55
JAK2 O60674 6/20 0.55
PDPK1 O15530 2/20 0.55
TTK P33981 1/20 0.51
HTR2B P41595 2/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
FADS1 O60427 1/20 0.49
ITK Q08881 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL12907168 0.86 PRKAG1 (0.68) JAK2PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL627808 0.85 PDPK1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31032738 0.85 PDPK1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL214502 0.83 CNR2 (0.58) TTKPRKAG1PRKAA1PRKAB1
SCHEMBL28707850 0.82 ALDH1A1 (0.48) KDM4EALDH1A1MAPTJAK2PDPK1
SCHEMBL1043754 0.81 DYRK1A (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2661165 0.81 BTK (0.51) JAK2PDPK1PRKAG1PRKAA1PRKAB1
SCHEMBL11752456 0.81 TTK (0.64) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28577811 0.80 PRKAG1 (0.60) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5952020 0.80 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
US-4084053-A YELLOW AND ORANGE DYES, PYRIMIDINO(4',5':5,6)-1,2,4-TRIAZINO(4,3-BETA)INDAZOLES CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-4017479-A Cationic indazole-azo-5-amino pyrazole dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 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 (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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2963/4885ALDH1A1 1527/4885MAPT 3294/4885
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 KDM4E 1346/4885ALDH1A1 1337/4885MAPT 3359/4885
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 KDM4E 4283/4885ALDH1A1 752/4885MAPT 1069/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG KDM4E 3229/4885ALDH1A1 1249/4885MAPT 2635/4885

“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.