SCHEMBL2877709

SCHEMBL2877709

[NH]c1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.56
DPP4 P27487 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
CDK2 P24941 1/20 0.39

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
SCHEMBL37384 0.79 DPP4 (0.66) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL11456967 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL8719273 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
Hydrochloric Acid SCHEMBL4763244 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL24500763 0.76 XDH (0.56) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL9733146 0.76 XDH (0.56) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL5935896 0.76 CDK2 (0.61) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL4451634 0.76 XDH (0.61) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL1009011 0.76 XDH (0.56) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL2867588 0.76 PDPK1 (0.66) DPP4PDPK1GDACDK2

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-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP XDH 2012/4885DPP4 206/4885KDM4E 1834/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP XDH 2012/4885DPP4 206/4885KDM4E 1834/4885

“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.