Sugi Predict

Sugi Predict / Compounds / SCHEMBL4780334

SCHEMBL4780334

SCHEMBL4780334

CC(NC(=O)c1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ IMPDH2 P12268 2/20 0.42
▸ PDE2A O00408 8/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AURKA O14965 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38

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
SCHEMBL4780501 0.95 IMPDH2 (0.47) PARP1PARP2IMPDH2PDE2AAURKA
SCHEMBL4774689 0.95 IMPDH2 (0.47) PARP1PARP2IMPDH2PDE2AAURKA
SCHEMBL4779798 0.95 IMPDH2 (0.47) PARP1PARP2IMPDH2PDE2AAURKA
SCHEMBL4777119 0.92 NPC1 (0.44) PARP1PARP2IMPDH2PDE2AROCK2
SCHEMBL4780065 0.92 PDE2A (0.47) PARP1PARP2IMPDH2PDE2AAURKA
SCHEMBL4813129 0.84 PDE2A (0.46) PARP1PARP2IMPDH2PDE2AROCK2
SCHEMBL4772577 0.83 PARP1 (0.46) PARP1PARP2AURKABMPR1BPLK4
SCHEMBL4774776 0.81 PARP1 (0.44) PARP1PARP2AURKABMPR1BPLK4
SCHEMBL4821015 0.80 PARP1 (0.45) PARP1PARP2AURKABMPR1BPLK4
SCHEMBL4778270 0.79 NPC1 (0.44) PARP1PARP2AURKABMPR1BPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 — — EP claimed
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
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
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 — — 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 (3 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 780/4885IMPDH2 4098/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA PARP1 628/4885PARP2 808/4885IMPDH2 4205/4885
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 770/4885IMPDH2 4131/4885

“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.