SCHEMBL14595306

SCHEMBL14595306

CNC(=N)NC1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
BRD4 O60885 6/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
F2 P00734 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24340204 1.00 EPHX2 (0.48) EPHX2BRD4BRD2BRD3BRDT
SCHEMBL7886607 0.91
SCHEMBL23299889 0.87 EPHX2 (0.35) EPHX2
SCHEMBL23299890 0.87 EPHX2 (0.35) EPHX2
SCHEMBL4103966 0.81 SIGMAR1 (0.43) EPHX2SMN1; SMN2
SCHEMBL26044029 0.81
SCHEMBL23153441 0.80 SMYD3 (0.39) F2ST14
SCHEMBL20445357 0.80 SMYD3 (0.39) F2ST14
SCHEMBL4100399 0.79 SIGMAR1 (0.46) EPHX2SMN1; SMN2
Iodide SCHEMBL27688322 0.77 SIGMAR1 (0.45) EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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 (1 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS EPHX2 2228/4885BRD4 302/4885BRD2 471/4885

“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.