SCHEMBL3433280

SCHEMBL3433280

COC(=O)c1cncc(-c2cnc(NC(=O)NC3CC3)cc2-c2nc(C)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
POLQ O75417 1/20 0.41
EPHX2 P34913 2/20 0.38
MAP4K1 Q92918 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3433078 0.96 SMN1; SMN2 (0.43) CYP2A6POLQEPHX2MAP4K1NPC1
SCHEMBL2135477 0.89
SCHEMBL3433076 0.88 CYP2A6 (0.48) CYP2A6POLQ
SCHEMBL3434667 0.87 CYP2A6 (0.42) CYP2A6NPC1
SCHEMBL3434332 0.85 CYP2A6 (0.46) CYP2A6NPC1SMN1; SMN2
SCHEMBL2134924 0.85 NPC1 (0.41) EPHX2NPC1ALDH1A1SMN1; SMN2
SCHEMBL3434335 0.84 CYP2A6 (0.44) CYP2A6
SCHEMBL3431752 0.82 CYP2A6 (0.43) CYP2A6
SCHEMBL3432677 0.82 CYP2A6 (0.43) CYP2A6
SCHEMBL3431736 0.81 CYP2A6 (0.56) CYP2A6POLQNPC1SMN1; 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-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 754/4885POLQ 867/4885EPHX2 1658/4885

“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.