SCHEMBL1928601

SCHEMBL1928601

CCOC(=O)c1cnn2c(N)c(C#N)c(-c3c(C)cc(C)cc3C)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.57
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 8/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.43
CSNK1D P48730 3/20 0.43
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1929183 0.84 KDM4E (0.54) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL1928756 0.80 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1POLB
Trifluoroacetic Acid SCHEMBL3842076 0.78 KDM4E (0.47) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL19436640 0.74 KDM4E (0.61) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL20697060 0.70 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL6137032 0.69 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL20697183 0.68 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL17732305 0.68 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL30904898 0.68 KDM4E (0.62) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL20689030 0.68 KDM4E (0.53) KDM4EALDH1A1RAB9ANPC1POLB

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-7956061-B2 Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-06-07 US disclosed
EP-1841770-B1 BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-11-11 EP disclosed
US-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-04-23 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 (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-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 KDM4E 1162/4885ALDH1A1 790/4885RAB9A 4566/4885

“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.