SCHEMBL19706535

SCHEMBL19706535

CC(=O)Nc1n[nH]c2nc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
LMNA P02545 1/20 0.47
GSK3B P49841 11/20 0.42
GSK3A P49840 10/20 0.42
CDK2 P24941 3/20 0.41
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR1 P34998 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MYLK Q15746 1/20 0.38
MARK1 Q9P0L2 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
SCHEMBL19706546 0.83 GSK3B (0.49) DYRK1AADORA2ALMNAGSK3BGSK3A
SCHEMBL19699601 0.83 MAPK1 (0.41) DYRK1AADORA2AADORA1LMNAGSK3B
SCHEMBL22239632 0.78 ADORA1 (0.44) ADORA2AADORA1KDM4EKMT2ASMN1; SMN2
SCHEMBL19736370 0.74 DYRK1A (0.49) DYRK1ALMNAGSK3BGSK3AKMT2A
SCHEMBL13524671 0.73 DYRK1A (0.71) DYRK1ALMNAGSK3B
SCHEMBL17777124 0.73 ADORA2A (0.41) ADORA2AADORA1LMNAKDM4EKMT2A
SCHEMBL10884409 0.72 KMT2A (0.46) ADORA2AADORA1KDM4EKMT2A
SCHEMBL7926347 0.71 ADORA1 (0.48) ADORA2AADORA1KDM4EKMT2A
SCHEMBL628880 0.70 DYRK1A (0.63) DYRK1AGSK3BGSK3ACDK2CDK1
SCHEMBL2160239 0.70 KMT2A (0.53) ADORA2AADORA1KDM4EKMT2AALDH1A1

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 DYRK1A 3048/4885ADORA2A 3217/4885ADORA1 2592/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2959/4885ADORA2A 3184/4885ADORA1 2574/4885

“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.