SCHEMBL5779007

SCHEMBL5779007

NC(=O)C1=Cc2cccnc2NC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
AHR P35869 1/20 0.33
LIMK1 P53667 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33

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
SCHEMBL30305190 1.00 PARP1 (0.36) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29816028 0.85 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL5775122 0.85 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL30548975 0.80 CA12 (0.42) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL18306076 0.77 PARP1 (0.32) PARP1RAB9A
SCHEMBL28871698 0.77 POLB (0.36) ALDH1A1LMNA
SCHEMBL1568611 0.75 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL715561 0.75 HSD17B10 (0.33) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30418799 0.75 ADORA3 (0.32)
SCHEMBL6061108 0.74 PARP1 (0.36) PARP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573340-A The preparation and application of the miscellaneous pyridine compounds and their of the virtue of 2 carbamyl 4 江西科技师范大学 2018-01-12 CN claimed
CN-106831824-A Pyrrolopyridines and its application containing naphthyridones structure 江西科技师范大学 2017-06-13 CN claimed
EP-2521725-A1 ARYLSULFONAMIDE PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION OF SAME, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-14 EP claimed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
EP-3512849-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-07-24 EP disclosed
EP-3481823-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-05-15 EP disclosed
CN-109689656-A 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2019-04-26 CN disclosed
CN-109689654-A 7-substituted 1-pyridyl-naphthyridine-3-carboxamides and their use 拜耳医药股份有限公司 2019-04-26 CN disclosed
US-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-18 US disclosed
CN-105985335-B Hydroxamic acid compound, preparation method and its usage 成都地奥九泓制药厂 2018-06-08 CN disclosed
CN-107949562-A The positive allosteric modulators of muscarinic M2 acceptors 拜耳制药股份公司 2018-04-20 CN disclosed
EP-3307741-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
CN-107573340-A The preparation and application of the miscellaneous pyridine compounds and their of the virtue of 2 carbamyl 4 江西科技师范大学 2018-01-12 CN disclosed
CN-106831824-A Pyrrolopyridines and its application containing naphthyridones structure 江西科技师范大学 2017-06-13 CN disclosed
CN-105611927-A Compounds for inhibiting drug-resistant strains of HIV-1 integrase US HEALTH (US) 2016-05-25 CN disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 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 (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-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR CHRM2, CHRM1, CHRM3 PARP1 3811/4885KDM4E 2769/4885ALDH1A1 4456/4885

“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.