SCHEMBL853431

SCHEMBL853431

CN1CCN(c2ccc(N)cc2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
GFER P55789 4/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 3/20 0.53
ADRA2C P18825 2/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
TLR7 Q9NYK1 2/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL4471864 0.89 SLC6A2 (0.63) MAPTKDM4EALDH1A1GFERKMT2A
SCHEMBL8340776 0.85 L3MBTL1 (0.56) KMT2ASLC6A2SLC6A4L3MBTL1HPGD
SCHEMBL157609 0.84 SLC6A2 (0.56) MAPTALDH1A1SLC6A2SLC6A4L3MBTL1
SCHEMBL12499505 0.84 SLC6A2 (0.49) MAPTKDM4EALDH1A1GFERKMT2A
SCHEMBL15765651 0.84 SLC6A2 (0.49) MAPTALDH1A1GFERKMT2AGAA
SCHEMBL12499581 0.84 SLC6A2 (0.49) ALDH1A1SLC6A2SLC6A4L3MBTL1HPGD
SCHEMBL30962721 0.84 KMT2A (0.56) MAPTKDM4EALDH1A1GFERKMT2A
SCHEMBL156594 0.83 NPC1 (0.55) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL12407014 0.83 L3MBTL1 (0.49) MAPTKDM4EALDH1A1GFERKMT2A
SCHEMBL14570546 0.81 POLB (0.50) MAPTKMT2AGAASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 CN disclosed
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 WO disclosed
CN-110818641-A Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2020-02-21 CN disclosed
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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 (4 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAPT 4119/4885KDM4E 1398/4885ALDH1A1 2864/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 MAPT 4470/4885KDM4E 743/4885ALDH1A1 508/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B MAPT 4119/4885KDM4E 1398/4885ALDH1A1 2864/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPT 438/4885KDM4E 4324/4885ALDH1A1 698/4885

“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.