SCHEMBL4774719

SCHEMBL4774719

O=C(NCc1ccc(F)cc1F)c1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PPARG P37231 2/20 0.39
GSK3B P49841 1/20 0.38
CNR2 P34972 1/20 0.37
KCNA5 P22460 2/20 0.37
MAOB P27338 1/20 0.36
ROCK2 O75116 1/20 0.35
MET P08581 1/20 0.35
AURKA O14965 2/20 0.34
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
CIT O14578 1/20 0.34
CHEK1 O14757 1/20 0.34
GAK O14976 1/20 0.34
EPHB6 O15197 1/20 0.34
RPS6KA4 O75676 1/20 0.34
LATS1 O95835 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL4778618 0.91 ROCK2 (0.41) PARP1PARP2PPARGGSK3BCNR2
SCHEMBL4779565 0.90 PARP1 (0.49) PARP1PARP2PPARGKMT2AHPGD
SCHEMBL6493764 0.84 PARP1 (0.44) PARP1PARP2ROCK2EGFR
SCHEMBL4780385 0.83 TACR1 (0.45) PARP1PARP2CNR2
SCHEMBL4779739 0.83 PARP1 (0.43) PARP1PARP2PPARGCNR2
SCHEMBL4776818 0.81 CNR2 (0.51) PARP1PARP2CNR2ROCK2MEN1
SCHEMBL4772577 0.80 PARP1 (0.46) PARP1PARP2GSK3BROCK2AURKA
SCHEMBL13987164 0.79 PARP1 (0.43) PARP1PARP2AURKABMPR1BPLK4
SCHEMBL4778270 0.79 NPC1 (0.44) PARP1PARP2ROCK2AURKABMPR1B
SCHEMBL4777119 0.79 NPC1 (0.44) PARP1PARP2ROCK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US 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 (2 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA PARP1 619/4885PARP2 780/4885PPARG 2046/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA PARP1 582/4885PARP2 770/4885PPARG 1905/4885

“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.