SCHEMBL2321167

SCHEMBL2321167

CCCOc1ccc(-c2nc(NCCO)nnc2-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.50
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
MAPT P10636 1/20 0.38
HTR7 P34969 4/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
TP53 P04637 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.38
CACNA2D1 P54289 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
CDK1 P06493 1/20 0.36
MERTK Q12866 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL11753241 0.82 CXCL12 (0.45) SCN9APTPN7DUSP3HTR7ADRA1D
SCHEMBL2328898 0.79 ALDH1A1 (0.51) SCN9AMAPTTP53
SCHEMBL2322159 0.79 SCN9A (0.46) SCN9ATP53MAPK14KCNH3
SCHEMBL2326509 0.72 PTGDR (0.45) SCN9AMAPTTP53CDK1
SCHEMBL31582428 0.72 ALDH1A1 (0.63) SCN9A
SCHEMBL2323024 0.72 ALDH1A1 (0.63) SCN9A
SCHEMBL11827589 0.71 ALOX5 (0.39) PTPN7DUSP3MAPTTP53PTGS2
SCHEMBL11483171 0.70 RAB9A (0.49) MAPTTP53PTGS2TSHRCACNA2D1
SCHEMBL11865062 0.69 RAB9A (0.46) MAPTTP53PTGS2TSHRCACNA2D1
SCHEMBL11483085 0.69 ACACB (0.47) MAPTTP53PTGS2TSHRCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054472-B2 1,2,4-triazine-4-amine derivatives NXERA PHARMA UK LIMITED (GB) 2024-08-06 US disclosed
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2023-01-19 US disclosed
US-10988455-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-27 US disclosed
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2019-02-14 US disclosed
US-10112923-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-30 US disclosed
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2017-10-12 US disclosed
EP-2531492-B1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LTD (GB) 2016-04-13 EP disclosed
US-9249130-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2015-01-01 US disclosed
US-8809525-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2014-08-19 US disclosed
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2013-01-31 US disclosed
EP-2531492-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES Heptares Therapeutics Limited (GB) 2012-12-12 EP disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 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 (8 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-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3926/4885PTPN7 3334/4885DUSP3 4792/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3926/4885PTPN7 3334/4885DUSP3 4792/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 SCN9A 3926/4885PTPN7 3334/4885DUSP3 4792/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3607/4885PTPN7 3440/4885DUSP3 4818/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 SCN9A 3902/4885PTPN7 3313/4885DUSP3 4791/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 SCN9A 3044/4885PTPN7 3708/4885DUSP3 4868/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R SCN9A 3766/4885PTPN7 2893/4885DUSP3 4775/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3926/4885PTPN7 3334/4885DUSP3 4792/4885

“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.