SCHEMBL7708997

SCHEMBL7708997

COC(=O)Cc1cc(C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.61
FGFR1 P11362 1/20 0.61
PDGFRA P16234 1/20 0.61
FLT1 P17948 1/20 0.61
FGFR3 P22607 1/20 0.61
KDR P35968 1/20 0.61
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PPIA P62937 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
AGTR1 P30556 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
SCHEMBL2595559 0.84 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9975343 0.84 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14809875 0.84 CYP1A2 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7712834 0.83 PDGFRB (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19354405 0.82 PDGFRB (0.76) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10714392 0.82 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19181062 0.80 SIGMAR1 (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17466154 0.80 CA12 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31722848 0.79 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31726681 0.79 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 PDGFRB 233/4885FGFR1 478/4885PDGFRA 229/4885
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 PDGFRB 460/4885FGFR1 766/4885PDGFRA 348/4885

“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.