SCHEMBL4773202

SCHEMBL4773202

C#Cc1cccc(COC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.45
IDH1 O75874 1/20 0.42
FFAR1 O14842 3/20 0.41
MIF P14174 1/20 0.40
MAOB P27338 4/20 0.39
PTPN1 P18031 1/20 0.39
PRKDC P78527 1/20 0.39
MAOA P21397 1/20 0.38
LMNA P02545 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL20945384 0.84 ALDH1A1 (0.56) ALDH1A1FFAR1MAOBPTPN1MAOA
SCHEMBL2659356 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4IDH1FFAR1MAOB
SCHEMBL18641314 0.84 LMNA (0.42) FFAR1MAOBPTPN1LMNAFFAR4
SCHEMBL6709375 0.82 ALDH1A1 (0.73) ALDH1A1CYP3A4IDH1MIFMAOB
SCHEMBL43788 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4IDH1MAOBCA2
SCHEMBL3346401 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4IDH1FFAR1MIF
SCHEMBL19369942 0.78 FFAR1 (0.44) ALDH1A1FFAR1PTPN1LMNACA2
SCHEMBL2385123 0.78 ALDH1A1 (0.66) ALDH1A1CYP3A4IDH1
SCHEMBL801397 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1FFAR1MIF
SCHEMBL7671543 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1759118-B Diazepinoindole derivatives as kinase inhibitors PFIZER 2010-12-08 CN 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-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
CN-1759118-A Diazepinoindole derivatives as kinase inhibitors PFIZER (US) 2006-04-12 CN 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 ALDH1A1 4205/4885CYP3A4 3688/4885IDH1 1609/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA ALDH1A1 4319/4885CYP3A4 3815/4885IDH1 1853/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ALDH1A1 4198/4885CYP3A4 3724/4885IDH1 1840/4885

“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.