SCHEMBL10312053

SCHEMBL10312053

Oc1nc(O)nc(/C=C/c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TRPA1 O75762 1/20 0.47
PDE5A O76074 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TTR P02766 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GRM4 Q14833 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
SCHEMBL20815516 1.00 CASP3 (0.47) CASP3SENP8SENP7SENP6TRPA1
SCHEMBL28798157 0.84 MEN1 (0.54) CASP3SENP8SENP7SENP6PDE5A
SCHEMBL21008132 0.82 MEN1 (0.45) CASP3SENP8SENP7SENP6TRPA1
SCHEMBL10123058 0.81 TTR (0.47) CASP3SENP8SENP7SENP6TRPA1
SCHEMBL10447650 0.79 RELA (0.49) CASP3SENP7KMT2AMEN1ADORA3
(Z)-1,2-Diphenylethene SCHEMBL29134000 0.75 MAOB (0.69) TRPA1KMT2AMEN1ALDH1A1LMNA
SCHEMBL20815523 0.74 PDE5A (0.46) CASP3SENP8SENP7SENP6PDE5A
SCHEMBL28773675 0.74 HRH4 (0.58) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL19084458 0.74 ALDH1A1 (0.62) CASP3SENP8SENP7SENP6PDE5A
SCHEMBL31484371 0.74 HRH4 (0.58) KMT2AMEN1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456712-B1 NOVEL 2,4,6-TRISUBSTITUTED S-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING SHIQI PHARMACEUTICAL CO LTD (CN) 2022-04-20 EP disclosed
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
WO-2017193954-A1 NOVEL 2,4,6-TRISUBSTITUTED S-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 南京世其医药科技有限公司 2017-11-16 WO 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 CASP3 1754/4885SENP8 2867/4885SENP7 2476/4885
US-20200190042-A1 NOVEL 2,4,6-TRISUBSTITUTED S-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF VIM, HASPIN, WASF2 CASP3 952/4885SENP8 88/4885SENP7 40/4885

“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.