SCHEMBL750240

SCHEMBL750240

ON=CNc1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 10/20 0.45
TSHR P16473 1/20 0.45
FDPS P14324 1/20 0.44
RAB9A P51151 12/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
PLAU P00749 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL7940966 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL750239 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL29693276 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1NPC1TSHR
SCHEMBL28797374 0.78 EDNRA (0.31)
SCHEMBL28797376 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPC1TSHRFDPS
SCHEMBL18076854 0.78 TRPA1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3332148 0.78
SCHEMBL29693285 0.78 EDNRA (0.31)
SCHEMBL29693275 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPC1TSHRFDPS
SCHEMBL18076852 0.78 TRPA1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773333-A Synthesis method of halogenated triazolopyridine 上海泰坦科技股份有限公司 2022-07-22 CN disclosed
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 US disclosed
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US disclosed
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-12-11 US disclosed
EP-2429293-B1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
US-8815894-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8802696-B2 7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoqu inoli and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-12 US disclosed
EP-2429296-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
WO-2010132442-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESERCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132487-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-18 WO disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (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-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN ALDH1A1 979/4885ATM 2893/4885L3MBTL1 1842/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C ALDH1A1 782/4885ATM 3579/4885L3MBTL1 2502/4885
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN ALDH1A1 979/4885ATM 2893/4885L3MBTL1 1842/4885
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF CIAPIN1, CLN6, SCN1A ALDH1A1 426/4885ATM 2656/4885L3MBTL1 1614/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C ALDH1A1 782/4885ATM 3579/4885L3MBTL1 2502/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ALDH1A1 260/4885ATM 1094/4885L3MBTL1 2170/4885

“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.