SCHEMBL3124379

SCHEMBL3124379

NNc1nccc2nc(C(F)(F)F)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.33
YES1 P07947 3/20 0.32
ABL1 P00519 3/20 0.32
MAP4K4 O95819 1/20 0.32
LOX P28300 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
RAB9A P51151 1/20 0.31
HDAC4 P56524 1/20 0.30
NTRK1 P04629 1/20 0.30
PIM1 P11309 1/20 0.30
MAPK1 P28482 1/20 0.30
KDR P35968 1/20 0.30
HIPK1 Q86Z02 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL3130736 0.88 MAPT (0.38) BACE1MAPTKDM4ETRPV1ALDH1A1
SCHEMBL16462860 0.79 MAP4K4 (0.43) BACE1TRPV1LOXL2MAP4K4LOX
SCHEMBL5264358 0.76 MAPT (0.46) MAPTKDM4EALDH1A1GAALOXL2
SCHEMBL3122337 0.76 ADRA2A (0.38) MAPTKDM4EALDH1A1YES1ABL1
SCHEMBL3132608 0.76 NT5E (0.35) BACE1TRPV1LOXL2MAP4K4LOX
SCHEMBL3134923 0.71 YES1 (0.60) MAPTALDH1A1GAAYES1ABL1
SCHEMBL3127363 0.69 MAPT (0.46) MAPTKDM4ETRPV1ALDH1A1GAA
SCHEMBL3129888 0.69 MAPT (0.49) MAPTKDM4ETRPV1ALDH1A1GAA
SCHEMBL3129649 0.66 MAP4K4 (0.34) LOXL2MAP4K4LOXSLC40A1TRPV4
SCHEMBL3127413 0.66 CCNB2 (0.33) MAPTKDM4EALDH1A1MAP4K4RAB9A

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 9 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
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-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-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
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
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
WO-2006023750-A2 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-03-02 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 BACE1 370/4885MAPT 3004/4885KDM4E 1689/4885

“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.