SCHEMBL16790052

SCHEMBL16790052

CC1c2nnc(C(F)(F)F)n2C(C)(C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.32
MAPT P10636 1/20 0.32
DPP8 Q6V1X1 6/20 0.32
DPP9 Q86TI2 5/20 0.32
DPP7 Q9UHL4 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
NR1H2 P55055 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5935850 0.78 DPP4 (0.48) DPP4DPP8DPP7
SCHEMBL5935844 0.77 DPP4 (0.49) DPP4DPP8DPP9GPR119
SCHEMBL16790053 0.74 DPP4 (0.49) DPP4MAPTDPP8DPP9DPP7
SCHEMBL16790034 0.74 DPP4 (0.39) DPP4DPP8DPP9GPR119
SCHEMBL16789995 0.74 DPP4 (0.41) DPP4DPP8DPP9ALDH1A1
SCHEMBL16790038 0.73 DPP4 (0.38) DPP4DPP8DPP9GPR119ALDH1A1
SCHEMBL5648690 0.70 P2RX7 (0.38) DPP4MAPTDPP8DPP9DPP7
SCHEMBL29649992 0.70 DPP4 (0.42) DPP4DPP8DPP7
SCHEMBL16790044 0.68 DPP4 (0.42) DPP4DPP8DPP9DPP7GPR119
SCHEMBL5653362 0.67 DPP4 (0.49) DPP4DPP8DPP9DPP7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255106-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as PARP-1 inhibitors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-02-09 US disclosed
US-20150166544-A1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) 2015-06-18 US disclosed
US-20150166544-A1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) 2015-06-18 US disclosed
EP-2881395-A1 PIPERAZINOTRIZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-06-10 EP 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-20150166544-A1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION PARP1, PARP11, PARP8 DPP4 552/4885MAPT 1182/4885DPP8 233/4885

“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.