SCHEMBL789944

SCHEMBL789944

Clc1ccc2ncc(Br)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
S1PR3 Q99500 2/20 0.38
S1PR1 P21453 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALPL P05186 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HTR3A P46098 1/20 0.37
DYRK1A Q13627 2/20 0.37
NR4A2 P43354 1/20 0.37
NOS1 P29475 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31468230 0.84 MALT1 (0.42) DYRK1ANOS1MALT1KDRCYP2D6
SCHEMBL10688343 0.84 PDGFRB (0.54) PDGFRBPDGFRAS1PR3S1PR1ALPL
SCHEMBL20528292 0.83 BACE1 (0.47) DYRK1ANOS1MALT1
SCHEMBL22075304 0.77 PTGES (0.35) PDGFRBPDGFRAS1PR3S1PR1ALPL
SCHEMBL15043760 0.76 ADORA3 (0.39) PDGFRBPDGFRAPDE3BPDE3AHRH4
SCHEMBL16288953 0.76 PDGFRB (0.39) PDGFRBPDGFRAPDE3BPDE3AHRH4
SCHEMBL534471 0.76 DYRK1A (0.46) PDGFRBPDGFRAPDE3BPDE3ADYRK1A
SCHEMBL5509853 0.76 ALDH1A1 (0.50) PDE3BPDE3ADYRK1A
SCHEMBL164336 0.76 DYRK1A (0.54) PDGFRBPDGFRAPDE3BPDE3AHRH4
SCHEMBL622744 0.76 EGFR (0.53) DYRK1AADORA3KDRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3569596-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co. Ltd. (CN) 2019-11-20 EP disclosed
WO-2018130184-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2018-07-19 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
CN-100460415-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2009-02-11 CN disclosed
CN-100441591-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2008-12-10 CN disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 US disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO disclosed
US-4738710-A Herbicidal alkane carboxylic acid derivatives ICI AUSTRALIA LIMITED (AU) 1988-04-19 US disclosed
EP-0063866-B1 QUINOLIN-3-YLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1987-12-09 EP disclosed
EP-0063866-A1 Quinolin-3-yloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them, and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-11-03 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 (1 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-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 PDGFRB 164/4885PDGFRA 411/4885S1PR3 72/4885

“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.