SCHEMBL3433076

SCHEMBL3433076

CNC(=O)Nc1cc(-c2nc(C)cs2)c(-c2cncc(C(=O)OC)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
ABL1 P00519 1/20 0.38
ATM Q13315 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GCK P35557 3/20 0.38
POLQ O75417 1/20 0.37

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
SCHEMBL3434332 0.90 CYP2A6 (0.46) CYP2A6ABL1ATMCYP11B1CYP11B2
SCHEMBL3433280 0.88 CYP2A6 (0.44) CYP2A6POLQ
SCHEMBL3434335 0.88 CYP2A6 (0.44) CYP2A6
SCHEMBL1505435 0.87 CYP2A6 (0.43) CYP2A6
SCHEMBL3432677 0.86 CYP2A6 (0.43) CYP2A6
SCHEMBL3431752 0.86 CYP2A6 (0.43) CYP2A6
SCHEMBL3434667 0.86 CYP2A6 (0.42) CYP2A6
SCHEMBL3433078 0.86 SMN1; SMN2 (0.43) CYP2A6POLQ
SCHEMBL3431736 0.85 CYP2A6 (0.56) CYP2A6ATMCYP11B1CYP11B2POLQ
SCHEMBL3434334 0.85 CYP2A6 (0.45) CYP2A6ATMCYP11B1CYP11B2

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 754/4885ABL1 1017/4885ATM 3386/4885

“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.