SCHEMBL4779523

SCHEMBL4779523

COC(=O)c1cc(N(C(C)=O)C(C)=O)ccc1C#CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 7/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GLA P06280 2/20 0.31

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
SCHEMBL15357881 0.79 CYP46A1 (0.48) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5560227 0.79 PTPN11 (0.42) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL6421582 0.78 ABL1 (0.49) KDM4EALDH1A1MAPTHPGDRXFP1
SCHEMBL4780147 0.77 ALK (0.34) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL2868135 0.74 LMNA (0.49) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL17560622 0.74 ALDH1A1 (0.48) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15360292 0.73 MAOB (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL12500028 0.70 MAOB (0.48) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL23044085 0.69 KDM4E (0.50) CRHBPCRHR2KDM4EALDH1A1MAPT
SCHEMBL29760402 0.69 KDM4E (0.50) CRHBPCRHR2KDM4EALDH1A1MAPT

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 CRHBP 2284/4885CRHR2 2776/4885KDM4E 1677/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA CRHBP 2403/4885CRHR2 2993/4885KDM4E 1654/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA CRHBP 2640/4885CRHR2 3038/4885KDM4E 1409/4885

“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.