SCHEMBL7235535

SCHEMBL7235535

NC(=O)C(N)Cc1ccccc1F.NCC(N)Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.45
DPP7 Q9UHL4 4/20 0.45
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 2/20 0.43
FAP Q12884 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 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
SCHEMBL4672066 0.91 ALDH1A1 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL18511376 0.91 ALDH1A1 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL4674867 0.85 TAAR1 (0.54) DPP4DPP7DPP8DPP9TAAR1
SCHEMBL7216586 0.85 TAAR1 (0.54) DPP4DPP7DPP8DPP9TAAR1
SCHEMBL7244017 0.79 ALDH1A1 (0.47) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL44127 0.77 PKM (0.58) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL29401250 0.77 PKM (0.58) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL44126 0.77 PKM (0.58) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL268942 0.77 PKM (0.58) DPP4DPP8DPP9FAPALDH1A1
Carbamic Acid SCHEMBL28108559 0.76 DPP4 (0.48) DPP4DPP7DPP8DPP9ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B DPP4 301/4885DPP7 378/4885DPP8 55/4885

“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.