SCHEMBL320058

SCHEMBL320058

CNCc1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
SCN8A Q9UQD0 1/20 0.52
GLA P06280 1/20 0.51
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
VNN1 O95497 2/20 0.48
PRMT6 Q96LA8 4/20 0.47
IDH1 O75874 1/20 0.47
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
CYP19A1 P11511 2/20 0.46
NOS1 P29475 1/20 0.46
CYP11B1 P15538 1/20 0.45

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
SCHEMBL30471916 1.00 LOXL2 (0.59) LOXL2SCN8AGLAKDM1AMAOA
SCHEMBL25588020 0.84 KDM1A (0.51) SCN8AGLAKDM1AMAOAMAOB
SCHEMBL19442424 0.83 TAAR1 (0.56) LOXL2SCN8AGLAHRH3KDM4E
SCHEMBL409441 0.83 SCN8A (0.56) SCN8AGLAKDM1AMAOAMAOB
SCHEMBL2153847 0.83 HRH3 (0.59) GLAKDM1AMAOAMAOBHRH3
SCHEMBL13181742 0.82 KDM1A (0.50) SCN8AGLAKDM1AMAOAMAOB
SCHEMBL4723260 0.82 CYP3A4 (0.53) SCN8AGLAKDM1AMAOAMAOB
SCHEMBL19442370 0.82 KDM4E (0.47) LOXL2SCN8AKDM1AMAOAMAOB
SCHEMBL8698182 0.82 KDM4E (0.47) LOXL2SCN8AGLAKDM1AMAOA
SCHEMBL24732637 0.82 SCN8A (0.51) SCN8AGLAKDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 US claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 WO claimed
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 WO disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US 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 (6 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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR LOXL2 1226/4885SCN8A 3169/4885GLA 2038/4885
US-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 LOXL2 3963/4885SCN8A 865/4885GLA 4372/4885
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN5 LOXL2 710/4885SCN8A 3263/4885GLA 2471/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 LOXL2 3242/4885SCN8A 2603/4885GLA 2051/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 LOXL2 710/4885SCN8A 3263/4885GLA 2471/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B LOXL2 3301/4885SCN8A 871/4885GLA 1478/4885

“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.