SCHEMBL2132019

SCHEMBL2132019

COC(=O)c1cncc(-c2cnc(NC(=O)NCC(F)(F)F)c(C(=O)OC)c2-c2nc(C(F)(F)F)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
FGFR3 P22607 3/20 0.36
KDR P35968 3/20 0.36

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
SCHEMBL1505438 0.91 CYP2A6 (0.38) CYP2A6
SCHEMBL2132176 0.91 CYP2A6 (0.37) CYP2A6
SCHEMBL1505439 0.90 CYP2A6 (0.40) CYP2A6KDR
SCHEMBL1505470 0.88 CYP2A6 (0.39) CYP2A6KDR
SCHEMBL2135487 0.87 CYP2A6 (0.38) CYP2A6
SCHEMBL2136593 0.86 CYP2A6 (0.38) CYP2A6
SCHEMBL1505661 0.85 CYP2A6 (0.39) CYP2A6KDR
SCHEMBL2134933 0.85 SMN1; SMN2 (0.41) CYP2A6
SCHEMBL2132012 0.85
SCHEMBL1505570 0.85

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 CYP2A6 754/4885PIK3CA 3393/4885PIK3CG 3667/4885

“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.