SCHEMBL913245

SCHEMBL913245

COc1ccc(-c2cc(C)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.57
CCR5 P51681 2/20 0.57
CCR8 P51685 2/20 0.57
DYRK1A Q13627 2/20 0.56
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
NPC1 O15118 6/20 0.53
RAB9A P51151 4/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
ROS1 P08922 1/20 0.51
CYP2A6 P11509 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CLK4 Q9HAZ1 1/20 0.48
SYK P43405 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL27344644 0.86 CCR1 (0.76) CCR1CCR5CCR8ABL1BCR
SCHEMBL31695263 0.86 CCR1 (0.76) CCR1CCR5CCR8ABL1BCR
SCHEMBL6703629 0.82 CCR1 (0.53) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL6807225 0.82 CCR1 (0.70) CCR1CCR5CCR8ABL1BCR
SCHEMBL29463685 0.82 CCR1 (0.70) CCR1CCR5CCR8ABL1BCR
SCHEMBL14082313 0.81 RAB9A (0.63) ABL1BCRNPC1RAB9AKDM4E
SCHEMBL9014019 0.81 CCR1 (0.80) CCR1CCR5CCR8DYRK1AABL1
SCHEMBL14554394 0.81 CCR1 (0.80) CCR1CCR5CCR8DYRK1AABL1
SCHEMBL9014003 0.81 CCR1 (0.80) CCR1CCR5CCR8DYRK1AABL1
SCHEMBL12335822 0.80 NPC1 (0.59) CCR1CCR5CCR8DYRK1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574870-B Luminescent gold (III) compound containing bidentate ligand for organic light-emitting device and preparation method thereof THE UNIVERSITY OF HONG KONG (CN) 2016-05-18 CN claimed
US-8372977-B2 Luminescent gold(III) compounds containing bidentate ligand for organic light-emitting devices and their preparation THE UNIVERSITY OF HONG KONG (CN) 2013-02-12 US claimed
US-20110012093-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2011-01-20 US claimed
CN-109912567-A A kind of biaryl pyrrole derivatives compound and preparation method thereof 台州职业技术学院 2019-06-21 CN disclosed
CN-102574870-B Luminescent gold (III) compound containing bidentate ligand for organic light-emitting device and preparation method thereof THE UNIVERSITY OF HONG KONG (CN) 2016-05-18 CN disclosed
US-8372977-B2 Luminescent gold(III) compounds containing bidentate ligand for organic light-emitting devices and their preparation THE UNIVERSITY OF HONG KONG (CN) 2013-02-12 US disclosed
CN-102574870-A Luminescent gold (III) compound containing bidentate ligand for organic light-emitting device and preparation method thereof UNIV HONG KONG 2012-07-11 CN disclosed
WO-2011006353-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2011-01-20 WO disclosed
US-20110012093-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2011-01-20 US disclosed
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
EP-1355870-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed
WO-2002062753-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 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-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors TGFBR1, TGFB1, TGFBR2 CCR1 509/4885CCR5 1105/4885CCR8 1652/4885
US-20110012093-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION CHRM1, CHRM5, CHRM2 CCR1 741/4885CCR5 113/4885CCR8 562/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 CCR1 824/4885CCR5 1748/4885CCR8 2395/4885

“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.