Sugi Predict

Sugi Predict / Compounds / SCHEMBL4776304

SCHEMBL4776304

SCHEMBL4776304

O=C(C[C@@H]1CCCN1)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ PLK4 O00444 2/20 0.49
▸ CHEK2 O96017 2/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ FYN P06241 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ RET P07949 2/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ SRC P12931 2/20 0.49
▸ FGFR3 P22607 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ MARK3 P27448 2/20 0.49
▸ KDR P35968 2/20 0.49
▸ LIMK1 P53667 2/20 0.49
▸ BTK Q06187 2/20 0.49
▸ PRKAA1 Q13131 2/20 0.49
▸ MARK2 Q7KZI7 2/20 0.49

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
SCHEMBL4776284 1.00 AURKA (0.49) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4795987 0.89 AURKA (0.53) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4776263 0.88 AURKA (0.55) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4796522 0.87 AURKA (0.48) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4780430 0.84 AURKA (0.47) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL13987223 0.84 AURKA (0.52) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL14144511 0.83 AURKA (0.49) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4773070 0.82 AURKA (0.47) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4963470 0.82 AURKA (0.51) AURKAFLT3PLK4CHEK2ABL1
SCHEMBL4778562 0.82 AURKA (0.47) AURKAFLT3PLK4CHEK2ABL1

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 13 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
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 AURKA 133/4885FLT3 792/4885PLK4 53/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA AURKA 130/4885FLT3 850/4885PLK4 67/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA AURKA 122/4885FLT3 705/4885PLK4 67/4885

“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.