Sugi Predict

Sugi Predict / Compounds / SCHEMBL4778573

SCHEMBL4778573

SCHEMBL4778573

O=C1NN=Cc2c(-c3ccncc3)[nH]c3cc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.64
▸ ROCK2 O75116 3/20 0.64
▸ PLK4 O00444 2/20 0.64
▸ CHEK2 O96017 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ EGFR P00533 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ FYN P06241 2/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ RET P07949 2/20 0.64
▸ FGFR1 P11362 2/20 0.64
▸ SRC P12931 2/20 0.64
▸ FGFR3 P22607 2/20 0.64
▸ RPS6KB1 P23443 2/20 0.64
▸ MARK3 P27448 2/20 0.64
▸ KDR P35968 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ LIMK1 P53667 2/20 0.64
▸ BTK Q06187 2/20 0.64
▸ PRKAA1 Q13131 2/20 0.64

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
SCHEMBL13987157 0.95 AURKA (0.68) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL5857921 0.95 AURKA (0.68) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL13987388 0.93 AURKA (0.55) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL13987198 0.91 AURKA (0.59) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL4778286 0.91 AURKA (0.61) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL13987314 0.90 AURKA (0.61) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL13987197 0.89 AURKA (0.61) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL13987394 0.87 AURKA (0.55) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL5858395 0.86 AURKA (0.59) AURKAROCK2PLK4CHEK2ABL1
SCHEMBL5860889 0.86 AURKA (0.63) AURKAROCK2PLK4CHEK2ABL1

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
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
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 133/4885ROCK2 608/4885PLK4 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 130/4885ROCK2 642/4885PLK4 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 122/4885ROCK2 566/4885PLK4 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.