SCHEMBL4690441

SCHEMBL4690441

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.57
FBP1 P09467 2/20 0.41
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
PABPC1 P11940 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
CCR4 P51679 1/20 0.31
CCR5 P51681 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 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
SCHEMBL9922716 0.92 P2RY12 (0.48) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922919 0.91 P2RY12 (0.47) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL14388166 0.90 P2RY12 (0.47) P2RY12FBP1CA12CA1CA2
SCHEMBL2947719 0.89 P2RY12 (0.67) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL4649019 0.89 P2RY12 (0.54) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL4684884 0.88 P2RY12 (0.51) P2RY12FBP1KMT2AMAPTHTT
SCHEMBL4686749 0.88 P2RY12 (0.60) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922690 0.88 P2RY12 (0.46) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL4688906 0.87 P2RY12 (0.59) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922109 0.87 P2RY12 (0.45) P2RY12FBP1MEN1KMT2AMAPT

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 3650/4885MEN1 4208/4885

“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.