SCHEMBL19699601

SCHEMBL19699601

Cc1ccc2c(NC(=O)C(C)C)n[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
DYRK1A Q13627 2/20 0.40
GSK3B P49841 6/20 0.40
GSK3A P49840 5/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CDK2 P24941 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
KDR P35968 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
LIMK1 P53667 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
SCHEMBL19706535 0.83 DYRK1A (0.52) DYRK1AGSK3BGSK3AADORA2AADORA1
SCHEMBL19706546 0.79 GSK3B (0.49) MAPK1DYRK1AGSK3BGSK3AADORA2A
SCHEMBL19728696 0.77 MAPK1 (0.46) MAPK1AAK1GSK3BGSK3AHSD17B10
SCHEMBL20328993 0.74 ALDH1A1 (0.45) MAPK1ADORA2AADORA1HSD17B10ALDH1A1
SCHEMBL22239632 0.74 ADORA1 (0.44) ADORA2AADORA1KDM4EGAAKMT2A
SCHEMBL20328992 0.72 TSHR (0.43) ADORA1HSD17B10ALDH1A1MAPTTSHR
SCHEMBL20328990 0.72 TSHR (0.46) ADORA1HSD17B10ALDH1A1MAPTTSHR
SCHEMBL1461281 0.71 GSK3B (0.66) MAPK1AAK1DYRK1AGSK3B
SCHEMBL4477055 0.71 GSK3B (0.65) AAK1GSK3BGSK3ACDK2KDR
SCHEMBL4495082 0.70 HDAC6 (0.66) AAK1DYRK1AGSK3BGSK3ACDK2

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-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 MAPK1 1307/4885AAK1 2765/4885DYRK1A 3048/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK1 1369/4885AAK1 2799/4885DYRK1A 2959/4885

“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.