SCHEMBL1927142

SCHEMBL1927142

Cc1cc(C)c(-c2nc3c4c(nn3c(N)c2C#N)CSC4)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
PTGS2 P35354 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1929262 0.81 HTT (0.31) KDM4EALDH1A1HTT
SCHEMBL1928601 0.65 KDM4E (0.57) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL8261316 0.57 NPY1R (0.39) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL12681332 0.57 USP8 (0.41) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL12681314 0.56 KDM4E (0.38) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL8262451 0.56 NPY1R (0.38) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL24618201 0.56 MAPT (0.51) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL4882490 0.55 TSHR (0.49) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL24618635 0.54 KMT2A (0.49) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL3418500 0.54 AURKA (0.55) MAPTMEN1POLBKMT2AKDM4E

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 MAPT 3445/4885MEN1 4799/4885POLB 525/4885

“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.