SCHEMBL3434320

SCHEMBL3434320

Cc1csc(-c2cc(NC(=O)NCC3CC3)ncc2Br)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MAPK1 P28482 12/20 0.47
ATG4B Q9Y4P1 1/20 0.40
MAP4K1 Q92918 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2136456 0.86
SCHEMBL3434314 0.84 TRPV1 (0.40) MAPK1MAP4K1
SCHEMBL3434576 0.84 MAPK1 (0.45) NPC1MAPK1ATG4B
SCHEMBL3433273 0.82 GCK (0.44) NPC1MAPK1MAP4K1
SCHEMBL3431725 0.82 MAPK1 (0.38) MAPK1
SCHEMBL3433064 0.82 MAPK1 (0.38) MAPK1
SCHEMBL3433278 0.81 MAP4K1 (0.43) NPC1MAPK1MAP4K1MEN1KMT2A
SCHEMBL3434667 0.79 CYP2A6 (0.42) NPC1MAPK1
SCHEMBL1505682 0.77 MAPK1 (0.47) MAPK1
SCHEMBL3434663 0.76 RAB9A (0.38) NPC1

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 NPC1 1917/4885MAPK1 2843/4885ATG4B 1895/4885

“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.