SCHEMBL4648221

SCHEMBL4648221

O=C(Nc1ccc(-n2ccc3cc(NC4CC4)c(F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.54
GRM1 Q13255 3/20 0.36
FBP1 P09467 1/20 0.35
F10 P00742 7/20 0.35
MAPT P10636 1/20 0.35
APP P05067 2/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2947719 0.90 P2RY12 (0.67) P2RY12GRM1FBP1F10MAPT
SCHEMBL4647420 0.89 P2RY12 (0.58) P2RY12FBP1F10MAPTALDH1A1
SCHEMBL9922339 0.89 P2RY12 (0.46) P2RY12GRM1FBP1MAPTAPP
SCHEMBL4682562 0.88 P2RY12 (0.55) P2RY12FBP1F10MAPTAPP
SCHEMBL4689679 0.87 P2RY12 (0.56) P2RY12GRM1FBP1F10MAPT
SCHEMBL4689922 0.87 P2RY12 (0.54) P2RY12FBP1F10MAPTAPP
SCHEMBL4690433 0.87 P2RY12 (0.54) P2RY12FBP1F10MAPTAPP
SCHEMBL4689917 0.86 P2RY12 (0.54) P2RY12FBP1F10MAPTAPP
SCHEMBL4685439 0.85 P2RY12 (0.54) P2RY12GRM1FBP1F10MAPT
SCHEMBL5423052 0.85 P2RY12 (0.52) P2RY12FBP1F10MAPTALDH1A1

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 67/4885GRM1 4231/4885FBP1 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.