SCHEMBL4686069

SCHEMBL4686069

CCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc(N)c(F)cc4c3=O)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
MET P08581 3/20 0.33
NOD1 Q9Y239 1/20 0.33
PLK4 O00444 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
AXL P30530 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
ABL2 P42684 1/20 0.31
FRK P42685 1/20 0.31
MST1R Q04912 1/20 0.31
TYRO3 Q06418 1/20 0.31
DDR1 Q08345 1/20 0.31
PDE4D Q08499 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
SCHEMBL4681454 0.94 P2RY12 (0.43) P2RY12METNOD1PLK4ABL1
SCHEMBL14357250 0.90 P2RY12 (0.52) P2RY12METNOD1AXLMEN1
SCHEMBL4687896 0.88 P2RY12 (0.45) P2RY12METKITMEN1KMT2A
SCHEMBL4689917 0.87 P2RY12 (0.54) P2RY12METPLK4ABL1NTRK1
SCHEMBL4683564 0.85 P2RY12 (0.42) P2RY12
SCHEMBL4688306 0.85 P2RY12 (0.41) P2RY12METMEN1KMT2ATP53
SCHEMBL4688995 0.85 P2RY12 (0.41) P2RY12MET
SCHEMBL14357216 0.83 P2RY12 (0.54) P2RY12NOD1MEN1KMT2ATP53
SCHEMBL4688869 0.83 P2RY12 (0.39) P2RY12METKITAXLMST1R
SCHEMBL14387888 0.83 P2RY12 (0.45) P2RY12METNOD1AXL

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 67/4885MET 4849/4885NOD1 984/4885

“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.