SCHEMBL3434576

SCHEMBL3434576

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 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
SCHEMBL3432088 0.86 MAPK1 (0.44) MAPK1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1430708 0.85
SCHEMBL3433273 0.85 GCK (0.44) MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL3433064 0.85 MAPK1 (0.38) MAPK1
SCHEMBL3431725 0.85 MAPK1 (0.38) MAPK1
SCHEMBL3434320 0.84 NPC1 (0.47) MAPK1NPC1ATG4B
SCHEMBL3434663 0.81 RAB9A (0.38) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL3434314 0.80 TRPV1 (0.40) MAPK1
SCHEMBL1430243 0.79
SCHEMBL3434335 0.78 CYP2A6 (0.44) MAPK1LMNA

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 MAPK1 2843/4885NPC1 1917/4885RAB9A 2690/4885

“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.