SCHEMBL409968

SCHEMBL409968

CCOC(=O)/C=C(\N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
DPP4 P27487 7/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP9 Q86TI2 1/20 0.33
CNKSR1 Q969H4 1/20 0.33
TTR P02766 1/20 0.33
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
CCR6 P51684 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL30607053 1.00 NPSR1 (0.38) NPSR1DPP4CYP3A4ALDH1A1TDP1
SCHEMBL440648 1.00 NPSR1 (0.38) NPSR1DPP4CYP3A4ALDH1A1TDP1
SCHEMBL27791252 0.90 MGAM (0.33) NPSR1DPP4CYP3A4ALDH1A1TDP1
SCHEMBL18752139 0.86 ATM (0.41) NPSR1CYP3A4TDP1MAPTRAB9A
SCHEMBL29738305 0.85 DPP4 (0.41) DPP4DPP9RORCMMP1MMP2
SCHEMBL2861837 0.85 DPP4 (0.41) DPP4DPP9RORCMMP1MMP2
SCHEMBL742800 0.85 DPP4 (0.41) DPP4DPP9RORCMMP1MMP2
SCHEMBL3801151 0.84 MAPT (0.39) DPP4CYP3A4ALDH1A1KCNH2KDM4E
SCHEMBL3801146 0.84 MAPT (0.39) DPP4CYP3A4ALDH1A1KCNH2KDM4E
SCHEMBL19500636 0.80 HCAR2 (0.44) DPP4ALDH1A1TDP1TTRKMT2A

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 29 patents — showing the first 20. 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-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-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-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-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-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-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
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
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-101641360-A Piperazine derivatives, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 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 (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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 NPSR1 2488/4885DPP4 1/4885CYP3A4 214/4885
US-20120220766-A1 TETRAHYDRO-IMIDAZO[1,5-alpha] PYRAZINE DERIVATIVES, PREPERATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP3, DPP7 NPSR1 1188/4885DPP4 1/4885CYP3A4 17/4885
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 NPSR1 2304/4885DPP4 1/4885CYP3A4 16/4885

“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.