SCHEMBL19699474

SCHEMBL19699474

CCOc1cncc(NC(=O)C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
PRKD3 O94806 1/20 0.46
MAPK9 P45984 1/20 0.46
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
MAPT P10636 1/20 0.37
CTPS1 P17812 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
SCHEMBL19699607 0.86 ADORA3 (0.40) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19699493 0.85 PRKD3 (0.37) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19699495 0.85 PRKD3 (0.37) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19699593 0.85 ADORA3 (0.37) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19706551 0.83 MAPK8 (0.63) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL16754473 0.83 MAPK8 (0.48) MAPK8SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL19699498 0.83 SCN10A (0.44) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19699574 0.82 MAPT (0.37) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19699576 0.82 MAPT (0.37) MAPK8PRKD3MAPK9ADORA3ADORA2A
SCHEMBL19699558 0.82 CHEK1 (0.41) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2

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-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
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.