SCHEMBL6696009

SCHEMBL6696009

C=C(C)c1ccc(NCC(C)(C)N)nc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.42
HCAR2 Q8TDS4 1/20 0.39
NNMT P40261 1/20 0.37
IL1B P01584 1/20 0.36
NUDT1 P36639 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6700940 0.82 NNMT (0.59) HCAR3HCAR2NNMT
SCHEMBL6698754 0.79 MAPK1 (0.50) HCAR3HCAR2NNMTMAPTL3MBTL1
SCHEMBL6700450 0.78 HCAR3 (0.46) HCAR3HCAR2NNMTKMT2A
SCHEMBL29364292 0.78 HCAR3 (0.46) HCAR3HCAR2NNMTKMT2A
SCHEMBL6700003 0.76 MAPT (0.44) IL1BNUDT1MAPTKMT2A
SCHEMBL25533215 0.75 NNMT (0.44) HCAR3HCAR2NNMTMEN1LMNA
SCHEMBL12212102 0.74 NUDT1 (0.39) HCAR3IL1BNUDT1MEN1LMNA
SCHEMBL1435912 0.74 NPC1 (0.46) NUDT1MEN1LMNAMAPTKMT2A
SCHEMBL6700607 0.74 PTK2 (0.45) NUDT1TP53MAPTKMT2AL3MBTL1
SCHEMBL3827086 0.72 RAB9A (0.51) IL1BMEN1LMNAMAPTKMT2A

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 HCAR3 1095/4885HCAR2 2206/4885NNMT 2846/4885

“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.