SCHEMBL2621790

SCHEMBL2621790

CCOc1ccnc2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.50
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
STK16 O75716 1/20 0.47
ABL1 P00519 1/20 0.47
ACVR1 Q04771 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
COQ8A Q8NI60 1/20 0.47
NLK Q9UBE8 1/20 0.47
SLC22A12 Q96S37 3/20 0.47
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
EGFR P00533 2/20 0.43
NCF1 P14598 1/20 0.42

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
SCHEMBL4538513 0.87 HPGD (0.49) PDGFRBHPGDSMN1; SMN2GAKHTT
SCHEMBL10283762 0.86 NCF1 (0.43) PDGFRBHPGDSMN1; SMN2GAKEPHB6
SCHEMBL12390292 0.86 PDGFRB (0.54) PDGFRBHPGDSMN1; SMN2GAKEPHB6
SCHEMBL358762 0.84 GAK (0.61) PDGFRBGAKEPHB6RIPK2STK16
SCHEMBL360467 0.83 GAK (0.47) PDGFRBGAKEPHB6RIPK2STK16
SCHEMBL2621817 0.83 AAK1 (0.44) PDGFRBSMN1; SMN2GAKEPHB6RIPK2
SCHEMBL20074382 0.82 POLB (0.49) PDGFRBHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL2621814 0.81 GAK (0.41) PDGFRBSMN1; SMN2GAKEPHB6RIPK2
SCHEMBL4079743 0.81 LMNA (0.46) PDGFRBHPGDSMN1; SMN2GAKEPHB6
SCHEMBL2621792 0.80 HTR7 (0.45) PDGFRBSMN1; SMN2GAKEPHB6RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PDGFRB 633/4885HPGD 2106/4885SMN1; SMN2 3408/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 PDGFRB 3284/4885HPGD 2831/4885SMN1; SMN2 3097/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PDGFRB 64/4885HPGD 2605/4885SMN1; SMN2 4292/4885

“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.