SCHEMBL7544652

SCHEMBL7544652

Clc1nccc(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 11/20 0.69
PIK3CA P42336 3/20 0.54
PIK3CB P42338 3/20 0.54
PIK3CG P48736 3/20 0.54
AHR P35869 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL447519 0.84 KMO (0.64) KMOPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL19036732 0.81 KMO (1.00) KMOPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2402821 0.81 KMO (0.65) KMOPIK3CAPIK3CBPIK3CGAHR
SCHEMBL28320772 0.79 KMO (0.61) KMOPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL980557 0.78 IDO1 (0.51) KMOCLK4
SCHEMBL38657570 0.78 IDO1 (0.51) KMOCLK4
SCHEMBL12801571 0.78 KMO (0.51) KMOPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL445861 0.78 MEN1 (0.52) KMONPC1RAB9AKDM4EALDH1A1
SCHEMBL441888 0.78 MAPT (0.59) KMOPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL14742279 0.78 KMO (0.59) KMOPIK3CAPIK3CBPIK3CGAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103841829-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions and methods of use thereof CHDI FOUNDATION CORP 2014-06-04 CN disclosed
US-6440984-B1 PROTECTION FOR GROWING AND HARVESTED CROPS; CONTROLLING TOBACCO BUDWORMS AND SOUTHERN ARMYWORMS; PESTICIDES; INSECTICIDES; MITICIDES; ANTHELMINTICS BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY 2002-04-18 US disclosed
US-6306866-B1 2-ALKOXY SUBSTITUTED PYRIMIDINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-10-23 US disclosed
US-6153619-A Aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 2000-11-28 US 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-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents YBX1, YBX3, CYP1B1 KMO 1317/4885PIK3CA 1648/4885PIK3CB 1937/4885

“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.