SCHEMBL3129649

SCHEMBL3129649

FC(F)(F)c1cnc2ccnc(Cl)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
RPS6KA5 O75582 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
NT5E P21589 2/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
LOX P28300 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
IDO1 P14902 1/20 0.30
ADRB1 P08588 1/20 0.30
LMNA P02545 1/20 0.30
DHODH Q02127 1/20 0.30
PIK3CA P42336 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3132608 0.86 NT5E (0.35) MAP4K4GABRA1GABRG2GABRB3GABRA3
SCHEMBL17844934 0.76 ALDH1A1 (0.39) LMNA
SCHEMBL3130736 0.76 MAPT (0.38) MAP4K4TRPV4LOXL2LOXSLC40A1
SCHEMBL29135222 0.75 PARP1 (0.53)
SCHEMBL30679240 0.75 PARP1 (0.53)
SCHEMBL2159112 0.74 MAP4K4 (0.40) MAP4K4TRPV4NT5ELMNAPIK3CA
SCHEMBL4187576 0.70 NT5E (0.42) MAP4K4GABRA1GABRG2GABRB3GABRA3
SCHEMBL16462860 0.69 MAP4K4 (0.43) MAP4K4TRPV4LOXL2LOXSLC40A1
SCHEMBL17845022 0.69 PTPN11 (0.35)
SCHEMBL15566786 0.69 TDP1 (0.44) LMNA

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
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 MAP4K4 1782/4885GABRA1 3049/4885GABRG2 2905/4885

“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.