SCHEMBL438365

SCHEMBL438365

CCOC(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
SYK P43405 1/20 0.35
TP53 P04637 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
SCHEMBL409962 1.00 DPP4 (0.43) DPP4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL27791284 0.96 DPP4 (0.40) DPP4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13175290 0.93 CYP1A2 (0.40) DPP4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL27779521 0.93 DPP4 (0.38) DPP4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL344599 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL344600 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL344125 0.89 DPP4 (0.42) DPP4AAK1CTSSCTSKATM
SCHEMBL344124 0.89 DPP4 (0.42) DPP4AAK1CTSSCTSKATM
SCHEMBL30136576 0.89 DPP4 (0.42) DPP4AAK1CTSSCTSKATM
SCHEMBL19510004 0.89 DPP4 (0.40) DPP4AAK1CTSSCTSKATM

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
EP-2404921-B1 SALTS OF TETRAHYDROIMIDAZO[1,5-a]PYRAZINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-11-22 EP disclosed
EP-2230241-B1 TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-11-26 EP disclosed
US-8518946-B2 Salts of (R)-7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-trifluoromethyl-5,6,7,8-tetrahydroimidazo[1,5-a] pyrazine-1-carboxylic acid, preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-08-27 US disclosed
US-8513411-B2 Tetrahydro-imidazo[1,5-α] pyrazine derivatives, preparation process and medicinal use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-08-20 US disclosed
US-20120220766-A1 TETRAHYDRO-IMIDAZO[1,5-alpha] PYRAZINE DERIVATIVES, PREPERATION PROCESS AND MEDICINAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-08-30 US disclosed
US-8207161-B2 Tetrahydro-imidazo[1,5-α]pyrazine derivatives, preparation process and medicinal use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2012-06-26 US disclosed
US-20120065209-A1 TETRAHYDRO-IMIDAZO[1,5-a]PYRAZINE DERIVATIVES SALTS, PREPARATION METHODS AND MEDICINAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-03-15 US disclosed
EP-2404921-A1 SALTS OF TETRAHYDROIMIDAZO Ý1,5-A¨PYRAZINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-01-11 EP disclosed
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-10-28 US disclosed
EP-2230241-A1 TETRAHYDRO-IMIDAZOÝ1,5-A¨PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-09-22 EP disclosed
CN-101641361-A Tetrahydroimidazo [1, 5-a ] pyrazine derivative, preparation method and application thereof in medicine SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN disclosed
CN-101641360-A Piperazine derivatives, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN 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 (3 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-20120220766-A1 TETRAHYDRO-IMIDAZO[1,5-alpha] PYRAZINE DERIVATIVES, PREPERATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP3, DPP7 DPP4 1/4885CYP1A2 79/4885CYP2C9 69/4885
US-20120065209-A1 TETRAHYDRO-IMIDAZO[1,5-a]PYRAZINE DERIVATIVES SALTS, PREPARATION METHODS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 DPP4 1/4885CYP1A2 682/4885CYP2C9 346/4885
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 DPP4 1/4885CYP1A2 103/4885CYP2C9 68/4885

“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.