SCHEMBL4899362

SCHEMBL4899362

CC(C)(C)N(C(=O)O)C1Cc2ncccc2N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RIPK1 Q13546 4/20 0.38
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
STAT6 P42226 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4891152 0.91 PARK7 (0.36) MEN1KMT2ACYP1A2CYP2C19RIPK1
SCHEMBL4896111 0.90 NPSR1 (0.41) MEN1KMT2AALDH1A1MAPTPTGDR2
SCHEMBL4897374 0.88 PTGDR2 (0.41) MEN1KMT2ACYP3A4PTGDR2
SCHEMBL4895747 0.87 BRD4 (0.41) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4897407 0.87 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2C19RIPK1
SCHEMBL4894380 0.83 MEN1 (0.37) MEN1KMT2AGAALMNANPC1
SCHEMBL4899852 0.80 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4897077 0.80 RIPK1 (0.38) MEN1KMT2ATP53RIPK1ALDH1A1
SCHEMBL8274769 0.77 SCN9A (0.43) MEN1KMT2ACYP1A2CYP2C19RIPK1
SCHEMBL8274762 0.76 CYP1A2 (0.48) MEN1KMT2ACYP1A2CYP2C19TP53

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 MEN1 2942/4885KMT2A 911/4885CYP1A2 313/4885

“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.