SCHEMBL4143751

SCHEMBL4143751

CNC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
TAS1R2 Q8TE23 2/20 0.60
P2RX7 Q99572 3/20 0.59
TSHR P16473 1/20 0.59
JAK2 O60674 1/20 0.56
PLK1 P53350 1/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
GAA P10253 1/20 0.50
F2R P25116 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
GPR139 Q6DWJ6 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 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
SCHEMBL3786271 0.90 PLK1 (0.57) TAS1R3TAS1R1TAS1R2P2RX7TSHR
SCHEMBL30452120 0.83 POLB (0.69) JAK2PLK1GAAALDH1A1POLB
SCHEMBL883582 0.83 POLB (0.69) JAK2PLK1GAAALDH1A1POLB
SCHEMBL10126900 0.82 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL21391472 0.82 PLK1 (0.50) TAS1R3TAS1R1TAS1R2P2RX7TSHR
SCHEMBL7981657 0.82 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2P2RX7PLK1
SCHEMBL31547716 0.82 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2P2RX7PLK1
SCHEMBL3780962 0.82 DOT1L (0.50) TAS1R3TAS1R1TAS1R2TSHRJAK2
SCHEMBL27885983 0.82 TSHR (0.61) TAS1R3TAS1R1TAS1R2P2RX7TSHR
SCHEMBL24311514 0.81 GAA (0.56) TAS1R3TAS1R1TAS1R2P2RX7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018139876-A1 NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 동화약품주식회사 2018-08-02 WO disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
EP-2970259-B1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-12-21 EP disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 US disclosed
WO-2014140065-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-09-18 WO disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 TAS1R3 4829/4885TAS1R1 4816/4885TAS1R2 4780/4885
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 TAS1R3 3005/4885TAS1R1 2315/4885TAS1R2 3273/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A TAS1R3 271/4885TAS1R1 155/4885TAS1R2 90/4885
US-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 TAS1R3 788/4885TAS1R1 767/4885TAS1R2 746/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 TAS1R3 1388/4885TAS1R1 1154/4885TAS1R2 1117/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 TAS1R3 1119/4885TAS1R1 1073/4885TAS1R2 977/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 TAS1R3 2726/4885TAS1R1 2426/4885TAS1R2 2105/4885

“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.