SCHEMBL4779516

SCHEMBL4779516

COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1C#CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NQO2 P16083 1/20 0.36
LMNA P02545 3/20 0.35
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL13987765 0.76 CDK1 (0.48) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL4780140 0.76 CDK1 (0.37) CDK1SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL14144270 0.73 TDP1 (0.49) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL4777325 0.73 KDM4E (0.43) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL13987736 0.73 SMN1; SMN2 (0.50) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL13987761 0.73 SMN1; SMN2 (0.50) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL17881940 0.68 SMN1; SMN2 (0.53) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL14144309 0.68 ALDH1A1 (0.51) CDK1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL7424407 0.68 KMT2A (0.43) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8137802 0.66 SMN1; SMN2 (0.75) CDK1SMN1; SMN2TDP1ALDH1A1HPGD

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 10 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
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-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
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
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 (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 CDK1 5/4885SMN1; SMN2 3667/4885TDP1 679/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA CDK1 6/4885SMN1; SMN2 3537/4885TDP1 652/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA CDK1 5/4885SMN1; SMN2 3786/4885TDP1 659/4885

“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.