SCHEMBL4778155

SCHEMBL4778155

Cn1cc(-c2[nH]c3cc(N)cc4c3c2C=NNC4=O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.61
AURKA O14965 3/20 0.61
AURKB Q96GD4 2/20 0.61
BMPR1B O00238 1/20 0.61
PLK4 O00444 1/20 0.61
CIT O14578 1/20 0.61
CHEK1 O14757 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
RPS6KA4 O75676 1/20 0.61
LATS1 O95835 1/20 0.61
PAK4 O96013 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
CDK1 P06493 1/20 0.61
CSF1R P07333 1/20 0.61
YES1 P07947 1/20 0.61

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
SCHEMBL13987435 0.88 FLT3 (0.60) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL14503112 0.84 FLT3 (0.66) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL4773016 0.79 PARP1 (0.47) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987465 0.79 AURKA (0.41) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987799 0.79 AURKA (0.69) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987478 0.79 AURKA (0.69) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987385 0.78 PARP1 (0.43) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987445 0.78 PARP1 (0.42) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL14502699 0.77 FLT3 (0.67) FLT3AURKAAURKBBMPR1BPLK4
SCHEMBL13987438 0.77 AURKA (0.67) FLT3AURKAAURKBBMPR1BPLK4

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
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-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

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 FLT3 792/4885AURKA 133/4885AURKB 148/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA FLT3 705/4885AURKA 122/4885AURKB 139/4885

“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.