SCHEMBL1996196

SCHEMBL1996196

COc1ccccc1-c1ccc(N)c(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
BLM P54132 1/20 0.48
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 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
SCHEMBL12617391 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL2001428 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL28621084 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EADORA2AHSD17B10MEN1
SCHEMBL5480724 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL7575602 0.76 KCNN4 (0.49) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL18309221 0.75 ADORA2A (0.52) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL1922106 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EADORA2AADORA1HSD17B10
SCHEMBL16345765 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL8802694 0.73 KDM4E (0.48) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL22232274 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDADORA2AHSD17B10

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-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 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-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP3, DPP4, DPP7 ALDH1A1 540/4885KDM4E 1903/4885HPGD 2248/4885

“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.