SCHEMBL19728686

SCHEMBL19728686

CC(C)C(=O)Nc1ncc2cc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CIT O14578 5/20 0.40
CDC7 O00311 1/20 0.39
ADORA2A P29274 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
LRRK2 Q5S007 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
ROCK2 O75116 3/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCB P05771 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
SCHEMBL19736365 0.83 PIK3C3 (0.47) ADORA1LMNAPIK3C3LRRK2CDK2
SCHEMBL19728688 0.79 ADORA1 (0.40) ADORA1ALDH1A1LMNAHSD17B10CIT
SCHEMBL312895 0.79 ADORA1 (0.42) ADORA1ALDH1A1HSD17B10PIK3C3LRRK2
SCHEMBL16266669 0.76 CDK4 (0.42) LRRK2CDK5PRKD3MAP4K4GSK3A
SCHEMBL30009349 0.75 ABL1 (0.52) ADORA1LMNAADORA2ALRRK2CDK2
SCHEMBL28331992 0.74 MAP3K5 (0.52) ADORA1ALDH1A1LMNAHSD17B10ADORA2A
SCHEMBL13663989 0.74 ADORA1 (0.43) ADORA1ALDH1A1LMNAHSD17B10CIT
SCHEMBL24343620 0.74 HDAC6 (0.48) ADORA1ALDH1A1ADORA2ANPC1RAB9A
SCHEMBL19728694 0.74 MAP4K1 (0.41) ADORA1ALDH1A1LMNAHSD17B10CDC7
SCHEMBL14555749 0.73 AXL (0.39) ALDH1A1LMNALRRK2CDK9RIPK1

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 2 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

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA1 2574/4885ALDH1A1 1067/4885LMNA 3512/4885

“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.