SCHEMBL553466

SCHEMBL553466

CN(C)CCn1cc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ALOX5AP P20292 3/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR2 P34972 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL11909985 0.86 FLT3 (0.34) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL15155092 0.81 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL27711333 0.80 L3MBTL1 (0.44) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL26598687 0.79 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL12093594 0.78 LMNA (0.39) ALDH1A1KMT2ALMNAJAK2JAK1
SCHEMBL670006 0.78
SCHEMBL20257886 0.77 JAK2 (0.35) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL1703246 0.77 MAPT (0.41) ALDH1A1KMT2AMAPTPKMLMNA
SCHEMBL5199006 0.77 JAK2 (0.35) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL1872520 0.76 MAOB (0.50) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
US-10391082-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2019-08-27 US disclosed
US-20180250272-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-09-06 US disclosed
US-20160346254-A1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-12-01 US disclosed
US-9447091-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2016-09-20 US disclosed
EP-2766354-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-05-18 EP disclosed
US-20150011548-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2015-01-08 US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 WO disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (7 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885KMT2A 629/4885TSHR 3204/4885
US-20150011548-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 ALDH1A1 3331/4885KMT2A 1203/4885TSHR 1818/4885
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 ALDH1A1 852/4885KMT2A 1698/4885TSHR 3623/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885KMT2A 629/4885TSHR 3204/4885
US-20160346254-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 ALDH1A1 3331/4885KMT2A 1203/4885TSHR 1818/4885
US-20180250272-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 ALDH1A1 3196/4885KMT2A 1221/4885TSHR 1845/4885
US-10391082-B2 Protein kinase inhibitors FGFR1, FGFR3, FGFR4 ALDH1A1 3196/4885KMT2A 1221/4885TSHR 1845/4885

“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.