SCHEMBL1542831

SCHEMBL1542831

N[C@@H]1[C@H]2CN(c3ncccn3)C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL16496333 1.00 DPP4 (0.43) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL16496334 1.00 DPP4 (0.43) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL20064012 0.82 DPP4 (0.45) DPP4KDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL26086784 0.80 KDM4E (0.47) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL2843524 0.79 DPP4 (0.41) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL2843523 0.79 DPP4 (0.41) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL16509678 0.78 KDM4E (0.41) DPP4KDM4EALDH1A1LMNAMAPT
SCHEMBL24467815 0.76 ACACB (0.41) PTPN11
SCHEMBL4635555 0.76 DPP4 (0.49) DPP4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21828559 0.75 DPP4 (0.35) DPP4KDM4EALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 DPP4 1171/4885KDM4E 3753/4885ALDH1A1 172/4885

“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.