SCHEMBL1017997

SCHEMBL1017997

Nc1ccc2nn(Cc3cccc(F)c3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
EGFR P00533 1/20 0.42
SLC2A1 P11166 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 2/20 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
SCHEMBL1015248 0.89 L3MBTL1 (0.55) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8553183 0.84 ADORA2A (0.48) ADORA3ADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL31632979 0.80 KDM4C (0.50) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1014119 0.79 KMT2A (0.56) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL31661440 0.78 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2MAPTTSHRHTT
SCHEMBL1095617 0.78 L3MBTL1 (0.48) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL31661655 0.77 KDM4C (0.41) ADORA3ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL31632791 0.76 MRGPRX4 (0.46) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30585031 0.75 KMT2A (0.50) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL20360015 0.74 NPC1 (0.37) L3MBTL1ADORA3SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744446-A Hetero-aromatic compound and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-07-01 CN disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
EP-1802633-B1 BENZOTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER SCHERING PHARMA AG (DE) 2011-08-03 EP disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-7750017-B2 Heterocycles BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-06 US disclosed
US-20080132497-A1 Novel Heterocycles BAYER PHARMACEUTICALS CORPORATION (US) 2008-06-05 US disclosed
EP-1802633-A1 BENZOTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044524-A1 BENZOTHIENO’2,3-D! PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (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-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT L3MBTL1 3837/4885ADORA3 765/4885ADORA2A 770/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 L3MBTL1 4676/4885ADORA3 4494/4885ADORA2A 3195/4885
US-20080132497-A1 Novel Heterocycles HRAS, CCNC, PCNA L3MBTL1 3934/4885ADORA3 4428/4885ADORA2A 3640/4885

“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.