SCHEMBL4778679

SCHEMBL4778679

Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc3c4c(c(-c5ccccc5)[nH]c4c2)C=NNC3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 9/20 0.43
MEN1 O00255 8/20 0.43
ALDH1A1 P00352 7/20 0.43
HTT P42858 4/20 0.43
AURKA O14965 2/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
CHEK1 O14757 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RPS6KA4 O75676 1/20 0.43
LATS1 O95835 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL4780388 0.84 AURKA (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL4779834 0.83 AURKA (0.47) KDM4EKMT2AMEN1ALDH1A1AURKA
SCHEMBL4775182 0.82 AURKA (0.47) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL4780452 0.79 AURKA (0.46) KDM4EHPGDKMT2AMEN1HTT
SCHEMBL14144310 0.78 AURKA (0.51) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL4779459 0.77 PARP1 (0.46) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL14144511 0.76 AURKA (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL4775345 0.76 AURKA (0.47) AURKABMPR1BPLK4CITCHEK1
SCHEMBL4772950 0.76 AURKA (0.44) KDM4EKMT2AMEN1ALDH1A1AURKA
SCHEMBL5860927 0.76 AURKA (0.53) KDM4EHPGDKMT2AMEN1ALDH1A1

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 9 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
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-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 KDM4E 1677/4885HPGD 2132/4885KMT2A 1922/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA KDM4E 1409/4885HPGD 2113/4885KMT2A 1951/4885

“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.