SCHEMBL411337

SCHEMBL411337

O=C(NCc1cnccn1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NAMPT P43490 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGDS O60760 1/20 0.41
ADORA2B P29275 2/20 0.40
IDO1 P14902 1/20 0.39
ADORA2A P29274 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CHRM4 P08173 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GLS O94925 1/20 0.39
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18701559 0.83 KDM4E (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1933893 0.79 HDAC3 (0.51) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29884167 0.77 RECQL (0.53) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL21246171 0.77 RECQL (0.53) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29602711 0.77 NPSR1 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL23022741 0.77 HDAC3 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3003567 0.77 NPSR1 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3003564 0.77 HDAC3 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL827675 0.77 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL20209641 0.75 SIRT6 (0.40) SMN1; SMN2KDM5CKDM5BALDH1A1MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478631-B The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate 四川科伦药物研究院有限公司 2019-04-05 CN 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-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
CN-106478631-A The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate 四川科伦药物研究院有限公司 2017-03-08 CN 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-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
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
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
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
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

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-20120065209-A1 TETRAHYDRO-IMIDAZO[1,5-a]PYRAZINE DERIVATIVES SALTS, PREPARATION METHODS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 VNN1 2084/4885HDAC3 81/4885HDAC1 218/4885
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 VNN1 2781/4885HDAC3 522/4885HDAC1 435/4885

“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.