SCHEMBL1640888

SCHEMBL1640888

CNc1cc2c(cc1F)C(=O)N(c1ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc1)CO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
MAPK14 Q16539 2/20 0.44
PTPN1 P18031 2/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGA4 P13612 1/20 0.41
CA2 P00918 2/20 0.41
ACE P12821 2/20 0.41
CA1 P00915 1/20 0.41
ADORA2A P29274 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL1640672 1.00 ROCK2 (0.46) ROCK2MAPK14PTPN1MEN1ALDH1A1
SCHEMBL1640669 1.00 ROCK2 (0.46) ROCK2MAPK14PTPN1MEN1ALDH1A1
SCHEMBL3836432 0.88 ADORA2A (0.37) ROCK2MAPK14KMT2AITGA4ACE
SCHEMBL3840059 0.88 ADORA2A (0.37) ROCK2MAPK14KMT2AITGA4ACE
SCHEMBL3834322 0.88 ADORA2A (0.37) ROCK2MAPK14KMT2AITGA4ACE
SCHEMBL1640077 0.86 F10 (0.40) ROCK2MAPK14KMT2AITGA4
SCHEMBL1640224 0.85 ROCK2 (0.43) ROCK2MEN1KMT2ASMN1; SMN2CA2
SCHEMBL1640885 0.78 F10 (0.39) ROCK2
SCHEMBL1640539 0.78 F10 (0.39) ROCK2
SCHEMBL1639957 0.78 F10 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 EP claimed
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 CN claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 EP claimed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 US claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 WO claimed
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 CN disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 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 (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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 ROCK2 2821/4885MAPK14 3436/4885PTPN1 2698/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT ROCK2 2533/4885MAPK14 3603/4885PTPN1 2623/4885

“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.