SCHEMBL19699500

SCHEMBL19699500

CC(C)C(=O)Nc1cnc(C2CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
TP53 P04637 3/20 0.40
BRAF P15056 1/20 0.39
ABL1 P00519 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
JAK3 P52333 3/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL29563866 0.88 HCRTR1 (0.38) ABL1CDK2JAK2JAK1JAK3
SCHEMBL27211254 0.88 HCRTR1 (0.38) ABL1CDK2JAK2JAK1JAK3
SCHEMBL19736358 0.82 GLS (0.48) BRAFABL1JAK2JAK1JAK3
SCHEMBL16754403 0.80 ABL1 (0.42) RAB9AABL1JAK2JAK1JAK3
SCHEMBL26764538 0.78 NOTUM (0.46) ALDH1A1RAB9ANPC1TP53ABL1
SCHEMBL19728677 0.77 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1TP53BRAF
SCHEMBL19699466 0.77 ADORA3 (0.40) BRAFCCNE1CDK2CDK5JAK2
SCHEMBL23768153 0.75 HCAR3 (0.38) ABL1JAK2JAK1JAK3HCRTR1
SCHEMBL21016980 0.72 CSF1R (0.39) ABL1JAK2JAK1JAK3HCRTR1
SCHEMBL16679112 0.72 ABL1 (0.36) RAB9ATP53ABL1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 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-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 (3 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 ALDH1A1 993/4885RAB9A 1168/4885NPC1 3073/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885RAB9A 1227/4885NPC1 3047/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885RAB9A 1227/4885NPC1 3047/4885

“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.