SCHEMBL332389

SCHEMBL332389

O=C(CCl)N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP8 Q6V1X1 8/20 0.57
DPP9 Q86TI2 4/20 0.57
ACE P12821 1/20 0.55
HTR2A P28223 1/20 0.55
FAP Q12884 1/20 0.55
DPP7 Q9UHL4 1/20 0.55

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
SCHEMBL11948486 0.87 DPP4 (0.60) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8223854 0.86 DPP4 (0.59) DPP4DPP8DPP9ACEHTR2A
SCHEMBL10025046 0.86 DPP4 (0.59) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25937810 0.86 DPP4 (0.62) DPP4DPP8DPP9ACEHTR2A
SCHEMBL21425239 0.84 DPP4 (0.53) DPP4DPP8DPP9ACEHTR2A
SCHEMBL28425771 0.83 DPP4 (0.57) DPP4DPP8DPP9ACEHTR2A
SCHEMBL9944485 0.83 DPP4 (0.57) DPP4DPP8DPP9ACEHTR2A
SCHEMBL3135974 0.83 DPP4 (0.55) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25429026 0.82 DPP4 (0.56) DPP4DPP8DPP9ACEHTR2A
Trifluoroacetic Acid SCHEMBL25427998 0.82 DPP4 (0.58) DPP4DPP8DPP9ACEHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2270009-B1 Process for the preparation of sitagliptin DIPHARMA FRANCIS SRL (IT) 2012-07-25 EP disclosed
US-8097724-B2 Process for the preparation of Sitagliptin DIPHARMA FRANCIS S.R.L. (IT) 2012-01-17 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
EP-2270009-A1 Process for the preparation of sitagliptin Dipharma Francis S.r.l. (IT) 2011-01-05 EP disclosed
US-20100331541-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN DIPHARMA FRANCIS S.R.L. (IT) 2010-12-30 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (2 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK DPP4 1423/4885DPP8 1450/4885DPP9 1087/4885
US-20100331541-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN DPP4, DPP7, DPP9 DPP4 1/4885DPP8 4/4885DPP9 3/4885

“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.