SCHEMBL4778110

SCHEMBL4778110

CC(C)(C)OC(=O)N1CC=C(c2[nH]c3cc(N)cc4c3c2C=NNC4=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.43
PDK4 Q16654 1/20 0.41
CNR1 P21554 1/20 0.41
JAK1 P23458 2/20 0.40
GRM1 Q13255 5/20 0.38
GRM5 P41594 4/20 0.38
AURKA O14965 2/20 0.38
BTK Q06187 2/20 0.38
CCNT1 O60563 1/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
CIT O14578 1/20 0.38
CHEK1 O14757 1/20 0.38
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
RPS6KA4 O75676 1/20 0.38
LATS1 O95835 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 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
SCHEMBL4775339 0.87 AURKA (0.44) CDK9PDK4CNR1JAK1GRM1
SCHEMBL14144137 0.82 CDK9 (0.41) CDK9PDK4CNR1JAK1GRM1
SCHEMBL4777173 0.79 AURKA (0.52) CDK9PDK4CNR1JAK1GRM1
SCHEMBL4816162 0.79 AURKA (0.52) CDK9PDK4CNR1JAK1GRM1
SCHEMBL4778756 0.79 AAK1 (0.53) CDK9PDK4CNR1JAK1AURKA
SCHEMBL4811092 0.79 AAK1 (0.53) CDK9PDK4CNR1JAK1AURKA
SCHEMBL4777411 0.78 KDM4E (0.43) CNR1JAK1AURKABTKBMPR1B
SCHEMBL13987374 0.77 AURKA (0.44) CDK9CNR1JAK1GRM1GRM5
SCHEMBL14491154 0.74 AURKA (0.39) JAK1AURKABTKBMPR1BPLK4
SCHEMBL18755022 0.68 PDK4 (0.53) PDK4CNR1JAK1GRM1GRM5

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
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
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 CDK9 236/4885PDK4 380/4885CNR1 1056/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA CDK9 208/4885PDK4 425/4885CNR1 858/4885

“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.