SCHEMBL7714633

SCHEMBL7714633

COC(=O)Cc1cc(C)c(N)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 4/20 0.43
GFER P55789 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PGK1 P00558 1/20 0.39

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
SCHEMBL17466154 0.85 CA12 (0.46) ALDH1A1GAAPDGFRBFGFR1PDGFRA
SCHEMBL31701357 0.84 PDGFRB (0.43) ALDH1A1GAAPDGFRBFGFR1PDGFRA
SCHEMBL5485173 0.84 PDGFRB (0.43) ALDH1A1GAAPDGFRBFGFR1PDGFRA
SCHEMBL1626248 0.81 GAA (0.46) ALDH1A1GAAGFERPDGFRBFGFR1
SCHEMBL8261931 0.81 PDGFRB (0.43) ALDH1A1GAAPDGFRBFGFR1PDGFRA
SCHEMBL3340926 0.79 TDP1 (0.41) RAB9AKMT2ASMN1; SMN2
SCHEMBL10714231 0.79 GAA (0.42) ALDH1A1GAAGFERHSD17B10HSP90AB1
SCHEMBL5487981 0.79 LMNA (0.53) ALDH1A1GAAGFERPDGFRBFGFR1
SCHEMBL14432236 0.78 CA12 (0.46) ALDH1A1GAAPDGFRBFGFR1PDGFRA
SCHEMBL19182299 0.77 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773642-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS Afraxis Holdings, Inc. (US) 2014-09-10 EP disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
EP-2694504-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER Afraxis Holdings, Inc. (US) 2014-02-12 EP disclosed
WO-2013067423-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-10 WO disclosed
WO-2013067423-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-10 WO disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 US disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 US disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO disclosed
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 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 (2 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-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS PAK2, PAK3, PAK1 ALDH1A1 2927/4885GAA 2054/4885GFER 4480/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 ALDH1A1 1936/4885GAA 2340/4885GFER 3849/4885

“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.