SCHEMBL5518945

SCHEMBL5518945

CC(C)Oc1ccc(NC(=O)NC2CCN(c3ccnc4ccccc34)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.53
CDK8 P49336 3/20 0.53
PDGFRB P09619 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL5518895 0.88 EPHX2 (0.54) CCNCCDK8PDGFRBCA12CA1
SCHEMBL14599436 0.84 PDGFRB (0.49) PDGFRBALDH1A1
SCHEMBL14599437 0.82 PDGFRB (0.53) PDGFRBALDH1A1
SCHEMBL14515649 0.78 SMPD3 (0.50) AKT1
SCHEMBL14599468 0.77 EPHX2 (0.48) CCNCCDK8EPHX2
SCHEMBL4970207 0.77 PDGFRB (0.67) PDGFRB
SCHEMBL4199286 0.76 PAK1 (0.50) CCNCCDK8PDGFRBAKT1
SCHEMBL4200992 0.76 CCNC (0.48) CCNCCDK8PDGFRBAKT1
SCHEMBL4969355 0.75 AKT1 (0.54) PDGFRBEPHX2AKT1
SCHEMBL4969148 0.75 PDE10A (0.57) PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ CCNC 454/4885CDK8 962/4885PDGFRB 284/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 CCNC 249/4885CDK8 464/4885PDGFRB 51/4885

“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.