SCHEMBL4688475

SCHEMBL4688475

Nc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccccc4)cc3)c(=O)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.41
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
LMNA P02545 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14357271 0.87 P2RY12 (0.46) CAMK2DCA12CA9CA1CA2
SCHEMBL4688869 0.84 P2RY12 (0.39) CAMK2DCA12CA9CA1CA2
SCHEMBL4689917 0.83 P2RY12 (0.54) CA2LMNAPPARGMEN1KMT2A
SCHEMBL4687896 0.83 P2RY12 (0.45) CAMK2DCA12CA9CA1CA2
SCHEMBL4688306 0.83 P2RY12 (0.41) LMNAMEN1KMT2ATP53P2RY12
SCHEMBL4687039 0.82 P2RY12 (0.36) CAMK2DCA12CA9CA1CA2
SCHEMBL4690684 0.82 P2RY12 (0.41) CA12CA9CA1CA2MEN1
SCHEMBL5420379 0.82 P2RY12 (0.38) CA12CA9CA1CA2MEN1
SCHEMBL4681454 0.82 P2RY12 (0.43) CA12CA9LMNAMEN1KMT2A
SCHEMBL4683564 0.82 P2RY12 (0.42) P2RY12

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 CAMK2D 1021/4885CA12 4880/4885CA9 4877/4885

“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.