SCHEMBL1521695

SCHEMBL1521695

Cc1cccnc1-c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
METAP2 P50579 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
PLAU P00749 1/20 0.33
RAB9A P51151 1/20 0.33
PDK2 Q15119 1/20 0.33
ADRA1A P35348 1/20 0.33
FAAH O00519 1/20 0.33
SMO Q99835 1/20 0.33
CTSL P07711 1/20 0.32
PTPRC P08575 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
TSHR P16473 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
SCHEMBL467479 0.79 GABRA1 (0.38) TRPV1PDK2FAAHCTSLPTPRC
SCHEMBL28596710 0.78 CYP2A6 (0.38) CYP2A6CNR2KDM4ENPC1TRPV1
SCHEMBL9656802 0.78 CDC25B (0.34) KDM4ENPC1RAB9AADRA1ACTSL
SCHEMBL1451183 0.78 KDM4E (0.41) METAP2KDM4ENPC1RAB9AADRA1A
SCHEMBL4055593 0.78 CYP3A4 (0.37) NOS3NOS1NOS2CNR2KDM4E
SCHEMBL6716159 0.77 RUNX1 (0.34) CNR2KDM4ECTSLPTPRCCTSS
SCHEMBL6716737 0.77 CA12 (0.39) KDM4ENPC1PLAURAB9A
SCHEMBL715117 0.76 CCR1 (0.37) KDM4ENPC1RAB9A
SCHEMBL715110 0.75 PTGS2 (0.45) CTSLPTPRCCTSSPTPN13
SCHEMBL196235 0.75 CYP2A6 (0.61) CYP2A6METAP2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
CN-111116505-B Amine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2023-02-07 CN disclosed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
CN-113166098-A Triazine compound, material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-07-23 CN disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
EP-0039892-B1 SUBSTITUTED PHENYL ETHERS CIBA-GEIGY AG (CH) 1986-12-30 EP disclosed
US-4559354-A ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0039892-A1 Substituted phenyl ethers CIBA-GEIGY AG (CH) 1981-11-18 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CYP2A6 769/4885METAP2 3986/4885NOS3 864/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB CYP2A6 1031/4885METAP2 1813/4885NOS3 3556/4885

“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.