SCHEMBL4690460

SCHEMBL4690460

CN(C)c1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
MAPT P10636 2/20 0.38
FBP1 P09467 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
GRM1 Q13255 3/20 0.32
F10 P00742 2/20 0.32
PPARG P37231 2/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL5424261 0.93 P2RY12 (0.52) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4684918 0.92 P2RY12 (0.51) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4682759 0.89 P2RY12 (0.49) P2RY12MAPTFBP1LMNAF10
SCHEMBL2947719 0.88 P2RY12 (0.67) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4689917 0.87 P2RY12 (0.54) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4647420 0.87 P2RY12 (0.58) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL9920090 0.86 P2RY12 (0.48) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4689679 0.85 P2RY12 (0.56) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL9923158 0.85 P2RY12 (0.52) P2RY12MAPTFBP1SMN1; SMN2LMNA
SCHEMBL4682562 0.85 P2RY12 (0.55) P2RY12MAPTFBP1SMN1; SMN2LMNA

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 67/4885MAPT 4564/4885FBP1 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.