SCHEMBL442426

SCHEMBL442426

Fc1cccc2c[c][nH]c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
DAO P14920 2/20 0.39
DDO Q99489 1/20 0.39
GPR84 Q9NQS5 1/20 0.34
MPO P05164 2/20 0.32
SLC6A4 P31645 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
FEN1 P39748 1/20 0.31
PCSK9 Q8NBP7 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL4465569 0.73 CYP2A6 (0.39) CA9DAODDO
SCHEMBL9740425 0.73 CYP1A2 (0.39) CA12DAODDO
SCHEMBL3071940 0.72 KIF11 (0.42) HRH4CES1
SCHEMBL12095733 0.71 FEN1 (0.45) CA12CA9DAODDOGPR84
SCHEMBL9740115 0.68 MAPT (0.48)
SCHEMBL4477746 0.68 CA12 (0.41) CA12CA9DAOHRH4
SCHEMBL4329097 0.68 ALDH1A1 (0.48)
SCHEMBL835944 0.66 MAPT (0.53)
SCHEMBL4269594 0.66 NR3C1 (0.37) CA9
SCHEMBL446638 0.65 AHR (0.56) CA12CA9DAODDOGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP claimed
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN claimed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP claimed
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-05-10 US claimed
US-9259470-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-16 US claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP claimed
EP-2820009-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2015-01-07 EP claimed
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-09-04 US claimed
US-8697715-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-04-15 US claimed
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-09-26 US claimed
WO-2013130976-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-09-06 WO claimed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 US claimed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 US claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
US-20240092819-A1 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR SANOFI SA (FR) 2024-03-21 US disclosed
US-11891386-B2 Indole compounds and their use ARIAGEN, INC. (CA) 2024-02-06 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (8 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-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 CA12 1227/4885CA9 1083/4885DAO 654/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CA12 4776/4885CA9 4707/4885DAO 1205/4885
US-11891386-B2 Indole compounds and their use IDO1, IDO2, INMT CA12 1908/4885CA9 2210/4885DAO 2303/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 CA12 4635/4885CA9 3906/4885DAO 525/4885
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 CA12 3384/4885CA9 3220/4885DAO 2160/4885
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 CA12 3384/4885CA9 3220/4885DAO 2160/4885
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 CA12 3384/4885CA9 3220/4885DAO 2160/4885
US-20240092819-A1 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR ASGR1, HAVCR2, SIGLEC7 CA12 4458/4885CA9 4667/4885DAO 858/4885

“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.