SCHEMBL4645824

SCHEMBL4645824

CNc1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.51
▸ PARP1 P09874 6/20 0.51
▸ PARP11 Q9NR21 8/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GRM5 P41594 6/20 0.46
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ PDPK1 O15530 1/20 0.41

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
SCHEMBL15466514 0.81 PARP10 (0.62) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL30669000 0.81 PARP10 (0.47) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL26671057 0.81 PARP10 (0.47) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL26670926 0.77 PARP10 (0.43) PARP10PARP1PARP11KDM4EF7
SCHEMBL27403164 0.76 MAP4K1 (0.46) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL24680794 0.76 PARP10 (0.56) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL14991814 0.76 PARP10 (0.56) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL12559528 0.76 GRM5 (0.59) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL20572003 0.72 PARP10 (0.56) PARP10PARP1PARP11KDM4EGRM5
SCHEMBL17073495 0.72 PARP10 (0.56) PARP10PARP1PARP11KDM4EGRM5

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 PARP10 16/4885PARP1 15/4885PARP11 21/4885

“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.

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