SCHEMBL4648749

SCHEMBL4648749

CNc1cc2ccn(-c3cc(C)c(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)c(C(C)C)c3)c(=O)c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.51
NLRP3 Q96P20 6/20 0.37
FBP1 P09467 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
GSTO1 P78417 1/20 0.30

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
SCHEMBL4687905 0.94 P2RY12 (0.55) P2RY12NLRP3FBP1ALDH1A1POLB
SCHEMBL4689093 0.89 P2RY12 (0.55) P2RY12NLRP3FBP1MAPT
SCHEMBL4787904 0.88 P2RY12 (0.50) P2RY12FBP1ALDH1A1POLBMAPT
SCHEMBL4684837 0.87 P2RY12 (0.56) P2RY12FBP1ALDH1A1POLBMAPT
SCHEMBL4682765 0.84 P2RY12 (0.58) P2RY12FBP1
SCHEMBL2947719 0.84 P2RY12 (0.67) P2RY12FBP1ALDH1A1POLBMAPT
SCHEMBL4686869 0.84 P2RY12 (0.54) P2RY12FBP1ALDH1A1POLBMAPT
SCHEMBL4787712 0.84 P2RY12 (0.55) P2RY12FBP1MAPT
SCHEMBL5424272 0.83 P2RY12 (0.57) P2RY12FBP1MAPT
SCHEMBL4688213 0.82 P2RY12 (0.54) P2RY12FBP1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 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 (1 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R P2RY12 67/4885NLRP3 964/4885FBP1 3650/4885

“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.