SCHEMBL6701353

SCHEMBL6701353

NCCNc1cnc2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
POLB P06746 1/20 0.70
GAA P10253 1/20 0.70
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
PDE10A Q9Y233 3/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
FERMT2 Q96AC1 1/20 0.46
PCSK9 Q8NBP7 1/20 0.45
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
SYK P43405 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL12199223 0.82 KDM4E (1.00) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL30223495 0.82 KDM4E (0.70) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL18912907 0.79 KDM4E (0.66) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL30223599 0.79 KDM4E (0.66) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL5141381 0.78 KDM4E (0.64) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL30223643 0.77 KDM4E (0.62) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL5943525 0.76 NCF1 (0.55) KDM4EALDH1A1GAAPDE10AFERMT2
SCHEMBL11352799 0.76 KDM4E (0.60) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL4156930 0.75 PDGFRB (0.64) KDM4EALDH1A1POLBGAAPDGFRB
Hydrochloric Acid SCHEMBL15286478 0.75 NCF1 (0.53) KDM4EALDH1A1GAAPDE10AFERMT2

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 KDM4E 2945/4885ALDH1A1 925/4885POLB 2660/4885

“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.