SCHEMBL4689072

SCHEMBL4689072

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Br)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
NLRP3 Q96P20 2/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GRM1 Q13255 3/20 0.32
FBP1 P09467 2/20 0.32
F10 P00742 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
SCHEMBL14357209 0.91 P2RY12 (0.55) P2RY12KMT2AMEN1LMNAALDH1A1
SCHEMBL2947719 0.90 P2RY12 (0.67) P2RY12KMT2AMEN1LMNAALDH1A1
SCHEMBL14357216 0.89 P2RY12 (0.54) P2RY12KMT2AMEN1LMNAALDH1A1
SCHEMBL14357251 0.89 P2RY12 (0.53) P2RY12KMT2AMEN1TP53GRM1
SCHEMBL14357205 0.89 P2RY12 (0.53) P2RY12KMT2AMEN1SMN1; SMN2TP53
SCHEMBL14357261 0.89 P2RY12 (0.55) P2RY12KMT2AMEN1TP53GRM1
SCHEMBL14357257 0.88 P2RY12 (0.52) P2RY12KMT2AMEN1TP53GRM1
SCHEMBL14357250 0.88 P2RY12 (0.52) P2RY12KMT2AMEN1GRM1F10
SCHEMBL14357259 0.88 P2RY12 (0.52) P2RY12KMT2AMEN1GRM1F10
SCHEMBL4688356 0.86 P2RY12 (0.49) P2RY12KMT2AMEN1LMNAALDH1A1

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 964/4885KMT2A 3539/4885

“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.