SCHEMBL19699511

SCHEMBL19699511

CC(C)C(=O)Nc1cc(-c2cn[nH]c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.47
PIK3C3 Q8NEB9 4/20 0.47
TYK2 P29597 2/20 0.47
GSK3B P49841 7/20 0.46
DYRK1A Q13627 3/20 0.46
WNT1 P04628 2/20 0.46
ROCK2 O75116 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
MAPT P10636 4/20 0.44
MAPK8 P45983 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP4K1 Q92918 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL19706510 0.85 PIK3C3 (0.62) PIK3C3
SCHEMBL558193 0.83 GSK3B (0.63) GSK3BDYRK1AWNT1
SCHEMBL24932350 0.79 EGFR (0.61) WNT3ATYK2GSK3BMAPTMAPK8
SCHEMBL19728654 0.79 TYK2 (0.44) PIK3C3TYK2GSK3BMAPTNPC1
SCHEMBL20888521 0.77 PRKD1 (0.46) WNT3APIK3C3TYK2ROCK2PRKD1
SCHEMBL19699509 0.77 TYK2 (0.43) PIK3C3TYK2GSK3BMAPTNPC1
SCHEMBL19699550 0.76 BUB1 (0.45) PIK3C3TYK2GSK3BMAPTNPC1
SCHEMBL19699553 0.75 DYRK1A (0.57) GSK3BDYRK1AWNT1
SCHEMBL19699519 0.75 TYK2 (0.46) PIK3C3TYK2GSK3BMAPTNPC1
SCHEMBL20888403 0.74 KCNH2 (0.44) WNT3ATYK2ROCK2PRKD1PRKD2

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 WNT3A 4482/4885PIK3C3 4720/4885TYK2 2321/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4543/4885PIK3C3 4718/4885TYK2 2258/4885

“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.