SCHEMBL7608701

SCHEMBL7608701

CN(C)c1nc(N)nc(-c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
ADORA2A P29274 6/20 0.64
ADORA1 P30542 6/20 0.64
ADORA3 P0DMS8 5/20 0.64
ADORA2B P29275 3/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 2/20 0.55
AHR P35869 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
ALOX15 P16050 1/20 0.53
HRH4 Q9H3N8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CREBBP Q92793 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL8125008 0.96 SMN1; SMN2 (0.65) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL14274943 0.86 MEN1 (0.55) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL9064816 0.83 ADORA2A (0.67) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL28088255 0.80 SMN1; SMN2 (0.58) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
Benzoguanamine SCHEMBL917182 0.80 ADORA2A (1.00) TSHRNPSR1ADORA2AADORA1ADORA3
SCHEMBL3424387 0.80 ADORA2A (0.90) TSHRNPSR1ADORA2AADORA1ADORA3
Benzoguanamine SCHEMBL27898 0.80 ADORA2A (1.00) TSHRNPSR1ADORA2AADORA1ADORA3
Benzoguanamine SCHEMBL28634836 0.80 ADORA2A (1.00) TSHRNPSR1ADORA2AADORA1ADORA3
SCHEMBL26793554 0.79 L3MBTL1 (0.67) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
Aniline SCHEMBL28092796 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TSHRNPSR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033093-B N- substituted sulphonamide compound and the preparation method and application thereof 浙江工业大学 2019-09-03 CN claimed
CN-108794414-B Aromatic amido substituted s-triazine compound, preparation and application thereof 浙江大学 2021-01-01 CN disclosed
CN-107286109-B Aryl substituted sulfonamide compound and preparation method and application thereof 浙江工业大学 2020-04-21 CN disclosed
CN-107033093-B N- substituted sulphonamide compound and the preparation method and application thereof 浙江工业大学 2019-09-03 CN disclosed
CN-107033093-B N- substituted sulphonamide compound and the preparation method and application thereof 浙江工业大学 2019-09-03 CN disclosed
CN-105837525-B 2, 4-diamine-1, 3,5-triazine compound and preparation method and application thereof 浙江工业大学 2019-05-28 CN disclosed
CN-108794414-A The s-triazine compound of aromatic amide substitution and preparation and application 浙江大学 2018-11-13 CN disclosed
CN-105732528-B Preparation method of 2-arylamine-4-dimethylamine-1, 3, 5-triazine compound 浙江工业大学 2018-11-13 CN disclosed
CN-107033093-A N substituted sulphonamide compounds and preparation method and application 浙江工业大学 2017-08-11 CN disclosed
CN-105837525-A 2, 4-diamine-1, 3, 5-triazine compound and preparation method and application thereof 浙江工业大学 2016-08-10 CN disclosed
CN-105732528-A Preparation method of 2-arylamine-4-dimethylamine-1, 3, 5-triazine compound 浙江工业大学 2016-07-06 CN disclosed
US-6441174-B1 REACTING PERYLENE-3,4,9,10-TETRACARBOXIMIDE OR DERIVATIVES WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL)PERYLENE-3,4,9,10-TETRACARBOXIMIDE, WHICH FURTHER REACTS WITH A PRECURSOR OF ORGANIC REDICALS CIBA SPECIALTY CHEMICALS CORPORATION 2002-08-27 US disclosed
US-20020052500-A1 Process for preparing bis(hydroxymethyl)perylenetetracarboximide HENDI SHIVAKUMAR BASALINGAPPA (US) 2002-05-02 US disclosed
US-6348595-B1 PERYLENE-3,4,9,10-TETRACARBOXIMIDE IS HYDROXYMETHYLATED BY REACTION WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL) PERYLENE-3,4,9,10-TETRACARBOXIMIDE; ONE POT PROCESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-19 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-20020052500-A1 Process for preparing bis(hydroxymethyl)perylenetetracarboximide TET1, CYP2E1, TET3 SMN1; SMN2 2969/4885TSHR 4258/4885NPSR1 3438/4885

“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.