SCHEMBL3434663

SCHEMBL3434663

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
S100A4 P26447 1/20 0.36
MAPT P10636 1/20 0.36
GCK P35557 1/20 0.35
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.34
ABCC1 P33527 1/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
AHR P35869 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL2132166 0.85
SCHEMBL3433273 0.81 GCK (0.44) RAB9ATSHRKDM4ENPC1HTT
SCHEMBL3434576 0.81 MAPK1 (0.45) RAB9ALMNANPC1SMN1; SMN2MAPT
SCHEMBL3434334 0.77 CYP2A6 (0.45) RAB9APOLBKDM4ENPC1HTT
SCHEMBL3433064 0.77 MAPK1 (0.38)
SCHEMBL3431725 0.77 MAPK1 (0.38)
SCHEMBL3434314 0.76 TRPV1 (0.40) KDM4EGSK3BDYRK1AWNT1
SCHEMBL3434320 0.76 NPC1 (0.47) NPC1
SCHEMBL3433278 0.74 MAP4K1 (0.43) RAB9ATSHRLMNAKDM4ENPC1
SCHEMBL3432197 0.73 MAPK1 (0.32) MAPTCYP19A1ADORA2A

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 RAB9A 2690/4885TSHR 3767/4885LMNA 2441/4885

“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.