SCHEMBL4690684

SCHEMBL4690684

Nc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)cs4)cc3)c(=O)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
F10 P00742 5/20 0.33
CA2 P00918 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
MET P08581 4/20 0.31
AXL P30530 2/20 0.31
MST1R Q04912 2/20 0.31
TYRO3 Q06418 2/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
KIT P10721 2/20 0.30
PLK4 O00444 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
RET P07949 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL4688869 0.90 P2RY12 (0.39) P2RY12F10CA2MEN1KMT2A
SCHEMBL14357260 0.88 P2RY12 (0.52) P2RY12F10CA2MEN1KMT2A
SCHEMBL4687060 0.88 P2RY12 (0.37) P2RY12EPHX2
SCHEMBL4689917 0.87 P2RY12 (0.54) P2RY12F10CA2MEN1KMT2A
SCHEMBL5420379 0.85 P2RY12 (0.38) P2RY12F10CA2MEN1KMT2A
SCHEMBL4687896 0.84 P2RY12 (0.45) P2RY12F10CA2MEN1KMT2A
SCHEMBL4681454 0.82 P2RY12 (0.43) P2RY12MEN1KMT2AEPHX2MET
SCHEMBL4683564 0.82 P2RY12 (0.42) P2RY12
SCHEMBL4688475 0.82 CAMK2D (0.41) P2RY12CA2MEN1KMT2ACA12
SCHEMBL4688306 0.82 P2RY12 (0.41) P2RY12MEN1KMT2AMET

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 5 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
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 67/4885F10 64/4885CA2 4801/4885

“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.