SCHEMBL746392

SCHEMBL746392

O=C(O)N(C(=O)O)c1ccc(Cl)nn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
NAPRT Q6XQN6 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL750364 0.80 LMNA (0.36) LMNAHTTNAPRTKMT2APOLB
SCHEMBL25218114 0.76 ALDH1A1 (0.38) LMNAHTTKMT2APOLBALDH1A1
SCHEMBL10389973 0.72 KMT2A (0.33) LMNAHTTKMT2APOLBALDH1A1
SCHEMBL456927 0.69 NPC1 (0.47) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL31447802 0.69 NPC1 (0.47) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL14589044 0.68 KMT2A (0.40) LMNAKMT2APOLBALDH1A1JUN
SCHEMBL29367162 0.68
SCHEMBL111337 0.68
SCHEMBL15390688 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11725896 0.65 POLB (0.44) LMNAHTTKMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280955-B1 CRYSTALLINE FORM OF 6-Ý(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL¨PYRIDAZIN-3-AMINE ALBANY MOLECULAR RES INC (US) 2017-10-18 EP disclosed
US-9156812-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR ALBANY MOLECULAR RESEARCH, INC. 2015-07-09 US disclosed
US-20140275101-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE CURIA GLOBAL, INC. 2014-09-18 US disclosed
US-8445494-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-8420811-B2 Tetrahydroisoquinolines and intermediates therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 US disclosed
EP-2429295-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO disclosed
WO-2009149259-A2 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-10 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 (3 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-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A LMNA 1456/4885HTT 550/4885NAPRT 392/4885
US-20140275101-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE HTR2C, SYNCRIP, SFPQ LMNA 503/4885HTT 598/4885NAPRT 1235/4885
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A LMNA 1456/4885HTT 550/4885NAPRT 392/4885

“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.