SCHEMBL19699481

SCHEMBL19699481

CCc1cncc(NC(=O)C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
ADORA3 P0DMS8 4/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
MAPT P10636 1/20 0.36
CDK5 Q00535 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL14642747 0.81 KDM4E (0.44) PRKD3MAPK8MAPK9ADORA3ADORA1
SCHEMBL13771799 0.79 KMT2A (0.38) MAPK8MAPK9SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19699490 0.78 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL10083508 0.77 CHRNB2 (0.51) MAPK8ADORA3ADORA1ADORA2ASMN1; SMN2
SCHEMBL19699474 0.77 MAPK8 (0.46) PRKD3MAPK8MAPK9ADORA3ADORA1
SCHEMBL19699477 0.77 FFAR2 (0.42) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL25954768 0.77 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL15627411 0.77 CCNE1 (0.41) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL19699499 0.75 SMN1; SMN2 (0.45) PRKD3MAPK8MAPK9SMN1; SMN2CYP2C19
SCHEMBL19699498 0.74 SCN10A (0.44) ADORA3ADORA1ADORA2AADORA2BSMN1; 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 PRKD3 2241/4885MAPK8 1686/4885MAPK9 1347/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKD3 2314/4885MAPK8 1815/4885MAPK9 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.