SCHEMBL19706567

SCHEMBL19706567

CCC(=O)Nc1cncc(F)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.44
ADORA1 P30542 10/20 0.44
ADORA2A P29274 8/20 0.44
ADORA2B P29275 5/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 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
SCHEMBL4413569 0.87 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL19706738 0.81 NPC1 (0.44) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL19706555 0.80 KDM4E (0.46) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL23368466 0.79 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL17778400 0.77 ADORA3 (0.38) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL19151182 0.77 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL19699477 0.76 FFAR2 (0.42) ADORA3ADORA1ADORA2AADORA2BABL1
SCHEMBL30071274 0.76 SMN1; SMN2 (0.51) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL17778558 0.73 CHEK1 (0.40) ADORA3ADORA1ADORA2AADORA2BABL1
SCHEMBL1722219 0.71 RAB9A (0.55) TSHRSMN1; SMN2NPC1TP53RAB9A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA3 3318/4885ADORA1 2592/4885ADORA2A 3217/4885

“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.