SCHEMBL19699501

SCHEMBL19699501

CCOc1cnc(NC(=O)C(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.45
PRKD3 O94806 1/20 0.45
MAPK9 P45984 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ACACB O00763 2/20 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
SCHEMBL15000512 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL17776548 0.82 MAPK8 (0.58) MAPK8PRKD3MAPK9LMNAMAPT
SCHEMBL14639075 0.82 MAPT (0.47) MAPK8SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL19699567 0.81 ALDH1A1 (0.39) MAPK8PRKD3MAPK9SMN1; SMN2ALDH1A1
SCHEMBL19699568 0.81 ALDH1A1 (0.39) MAPK8PRKD3MAPK9SMN1; SMN2ALDH1A1
SCHEMBL17778922 0.81 ADORA3 (0.45) MAPK8SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL19699474 0.79 MAPK8 (0.46) MAPK8PRKD3MAPK9SMN1; SMN2ALDH1A1
SCHEMBL19699499 0.78 SMN1; SMN2 (0.45) MAPK8PRKD3MAPK9SMN1; SMN2ALDH1A1
SCHEMBL24932247 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL19176758 0.76 HSD17B10 (0.44) ALDH1A1LMNAMAPTRAB9ANPC1

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 MAPK8 1686/4885PRKD3 2241/4885MAPK9 1347/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885PRKD3 2314/4885MAPK9 1414/4885

“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.