SCHEMBL10312043

SCHEMBL10312043

Clc1nc(Cl)nc(/C=C/c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GRM4 Q14833 3/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL20815523 1.00 PDE5A (0.46) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL29670513 0.96 PDE5A (0.46) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL28798157 0.84 MEN1 (0.54) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL28742483 0.82 TRPA1 (0.44) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL21008079 0.82 LMNA (0.53) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL596715 0.81 ALDH1A1 (0.46) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL596716 0.81 ALDH1A1 (0.46) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL28869271 0.80 KDM4E (0.48) PDE5AMEN1KMT2AGRM4ALDH1A1
SCHEMBL28742482 0.80 KDM4E (0.48) PDE5AMEN1KMT2AGRM4ALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL1376696 0.75 MAOB (0.69) MEN1KMT2AALDH1A1MAPK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190042-A1 NOVEL 2,4,6-TRISUBSTITUTED S-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF ALUDA PHARMACEUTICALS, INC. 2020-06-18 US disclosed
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 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 (2 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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 PDE5A 1708/4885MEN1 4391/4885KMT2A 1102/4885
US-20200190042-A1 NOVEL 2,4,6-TRISUBSTITUTED S-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF VIM, HASPIN, WASF2 PDE5A 2780/4885MEN1 1503/4885KMT2A 4026/4885

“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.