SCHEMBL16648646

SCHEMBL16648646

N#Cc1ccc(N2CCC(c3cc(NC(=O)O)[nH]n3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.49
LCAT P04180 1/20 0.46
HSD11B1 P28845 1/20 0.45
PANK3 Q9H999 3/20 0.45
CHRM4 P08173 3/20 0.45
SMO Q99835 1/20 0.44
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
JAK1 P23458 2/20 0.44
KCNH2 Q12809 2/20 0.44
DPP4 P27487 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
PARP1 P09874 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL16664284 0.86 FASN (0.45) FASNLCATHSD11B1PANK3CHRM4
SCHEMBL16649038 0.86 MALT1 (0.50) LCATPANK3CHRM4DPP4
SCHEMBL16664264 0.80 LCAT (0.46) FASNLCATHSD11B1PANK3SMO
SCHEMBL16718831 0.75 JAK2 (0.54) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL326846 0.73 CHRM4 (0.55) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL3859652 0.72 CHRM4 (0.54) PANK3CHRM4SMOJAK2JAK3
SCHEMBL1729285 0.72 CHRM4 (0.57) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL5867611 0.72 LRRK2 (0.56)
SCHEMBL16648674 0.71 HRH4 (0.36) JAK3
SCHEMBL5216841 0.71 DPP4 (0.52) PANK3CHRM4JAK2JAK3JAK1

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
EP-2862861-B1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-01-06 EP disclosed
US-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862861-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 EP 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 (1 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-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 FASN 1282/4885LCAT 1/4885HSD11B1 2382/4885

“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.