SCHEMBL3433273

SCHEMBL3433273

CNC(=O)Nc1cc(-c2nc(C)cs2)c(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.44
ABL1 P00519 2/20 0.41
MAP4K1 Q92918 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 2/20 0.36
S100A4 P26447 1/20 0.36
TSHR P16473 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL3434576 0.85 MAPK1 (0.45) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL3434314 0.85 TRPV1 (0.40) ABL1MAP4K1KDM4EMAPK1WNT1
SCHEMBL1505531 0.83 GCK (0.43) GCK
SCHEMBL3431725 0.83 MAPK1 (0.38) ABL1MAPK1
SCHEMBL3433064 0.83 MAPK1 (0.38) MAPK1
SCHEMBL3433278 0.82 MAP4K1 (0.43) MAP4K1KDM4ENPC1RAB9AHTT
SCHEMBL3434320 0.82 NPC1 (0.47) MAP4K1NPC1MAPK1
SCHEMBL3434663 0.81 RAB9A (0.38) GCKKDM4ENPC1RAB9AHTT
SCHEMBL3433076 0.75 CYP2A6 (0.48) GCKABL1
SCHEMBL3432655 0.75 PDE10A (0.41) KDM4ENPC1RAB9ASMN1; SMN2MAPK1

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 GCK 1931/4885ABL1 1017/4885MAP4K1 2858/4885

“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.