SCHEMBL4688906

SCHEMBL4688906

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.59
FBP1 P09467 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DOT1L Q8TEK3 1/20 0.33
RECQL P46063 1/20 0.33
IDH1 O75874 1/20 0.32
APP P05067 1/20 0.31
CA2 P00918 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
SCHEMBL4686749 0.94 P2RY12 (0.60) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL9922713 0.94 P2RY12 (0.51) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4860490 0.93 P2RY12 (0.58) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4689919 0.92 P2RY12 (0.57) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4686051 0.91 P2RY12 (0.57) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4689069 0.91 P2RY12 (0.57) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4689577 0.91 P2RY12 (0.57) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL9922723 0.91 P2RY12 (0.49) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL9923152 0.91 P2RY12 (0.54) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4688448 0.91 P2RY12 (0.56) P2RY12FBP1MAPTMEN1KMT2A

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 67/4885FBP1 3650/4885MAPT 4564/4885

“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.