SCHEMBL4776229

SCHEMBL4776229

COC(=O)c1cc(NC(C)=O)cc2[nH]c(-c3cccc(CN(C)C(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSF1R P07333 2/20 0.37
GLS O94925 2/20 0.37
CHUK O15111 1/20 0.34
INSR P06213 1/20 0.34
MAPK8 P45983 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
CDK1 P06493 1/20 0.34
MGLL Q99685 1/20 0.34
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL14144294 0.85 BRD4 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2GLS
SCHEMBL4775372 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2CSF1R
SCHEMBL22945945 0.78 HDAC11 (0.42) ALDH1A1CSF1RGLSCHUKINSR
SCHEMBL13987732 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2CDK1
SCHEMBL14144130 0.77 JAK2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2JAK2
SCHEMBL4778658 0.75 DGAT2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2CDK1
SCHEMBL13987190 0.75 DGAT2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2CDK1
SCHEMBL4817034 0.75 DGAT2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2CDK1
SCHEMBL22946360 0.74 RIPK1 (0.36) ALDH1A1CSF1RMEN1KMT2A
SCHEMBL4773059 0.73 CHUK (0.48) ALDH1A1HPGDCSF1RCHUKINSR

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
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
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 WO 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 AOC3 4564/4885KDM4E 1677/4885ALDH1A1 4205/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA AOC3 4370/4885KDM4E 1409/4885ALDH1A1 4198/4885

“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.