SCHEMBL4685193

SCHEMBL4685193

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3CN3CCCCC3)c(=O)c2cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.52
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
F10 P00742 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
PTGER3 P43115 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
FBP1 P09467 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4686051 0.90 P2RY12 (0.57) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4688501 0.89 P2RY12 (0.56) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4646800 0.89 P2RY12 (0.55) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4685308 0.88 P2RY12 (0.55) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4683560 0.88 P2RY12 (0.53) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4686749 0.87 P2RY12 (0.60) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4688906 0.86 P2RY12 (0.59) P2RY12ALDH1A1MEN1MAPTKMT2A
SCHEMBL4860490 0.85 P2RY12 (0.58) P2RY12F10ALDH1A1MEN1MAPT
SCHEMBL4689919 0.85 P2RY12 (0.57) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL4689069 0.84 P2RY12 (0.57) P2RY12ALDH1A1MEN1MAPTKMT2A

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 67/4885PSEN1 4327/4885PSEN2 4463/4885

“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.