SCHEMBL4688356

SCHEMBL4688356

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3)c(=O)c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.49
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 3/20 0.37
POLB P06746 3/20 0.37
HTT P42858 3/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.34
PTGER3 P43115 2/20 0.34
F10 P00742 2/20 0.34
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14357212 0.87 P2RY12 (0.49) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL14357260 0.87 P2RY12 (0.52) P2RY12MEN1KMT2AMAPTPOLB
SCHEMBL14357209 0.86 P2RY12 (0.55) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL14357271 0.86 P2RY12 (0.46) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL4689072 0.86 P2RY12 (0.54) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL2947719 0.86 P2RY12 (0.67) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL14357267 0.86 P2RY12 (0.45) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL14357265 0.85 P2RY12 (0.47) P2RY12MEN1KMT2AF10
SCHEMBL14357216 0.85 P2RY12 (0.54) P2RY12MEN1KMT2AMAPTLMNA
SCHEMBL14357274 0.85 P2RY12 (0.48) P2RY12MEN1KMT2AF10

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 67/4885MEN1 4208/4885KMT2A 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.