SCHEMBL19699477

SCHEMBL19699477

CC(C)C(=O)Nc1cncc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
ABL1 P00519 1/20 0.40
ADORA2B P29275 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 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
SCHEMBL19699490 0.81 ADORA3 (0.41) FFAR2CCNE1CDK2CDK5ADORA3
SCHEMBL19706555 0.80 KDM4E (0.46) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL25954768 0.79 ADORA3 (0.40) FFAR2CCNE1CDK2CDK5ADORA3
SCHEMBL15627411 0.79 CCNE1 (0.41) FFAR2CCNE1CDK2CDK5ADORA3
SCHEMBL19699481 0.77 PRKD3 (0.40) FFAR2CCNE1CDK2CDK5ADORA3
SCHEMBL19699498 0.77 SCN10A (0.44) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL19706567 0.76 ADORA3 (0.44) ADORA3ADORA1ADORA2AABL1ADORA2B
SCHEMBL19699558 0.76 CHEK1 (0.41) CCNE1CDK2CDK5ADORA3ADORA1
SCHEMBL19699466 0.74 ADORA3 (0.40) CCNE1CDK2CDK5ADORA3ADORA1
SCHEMBL10204858 0.73 ADORA3 (0.44) FFAR2CCNE1CDK2CDK5ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
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 (2 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 FFAR2 1661/4885CCNE1 1916/4885CDK2 682/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FFAR2 1718/4885CCNE1 1954/4885CDK2 647/4885

“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.