SCHEMBL2322159

SCHEMBL2322159

CN(C)c1ccc(-c2nc(NCCO)nnc2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.46
KCNH3 Q9ULD8 1/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK14 Q16539 2/20 0.38
APP P05067 1/20 0.38
MAPK1 P28482 3/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL2326509 0.85 PTGDR (0.45) SCN9AALDH1A1KDM4EHPGDAPP
SCHEMBL2329297 0.83 ALDH1A1 (0.36) SCN9AALDH1A1KDM4EHPGDGLA
SCHEMBL2321167 0.79 SCN9A (0.50) SCN9AKCNH3MAPK14TP53
SCHEMBL11749289 0.79 ALOX5 (0.40) ALOX5ALDH1A1GLAMAPK14APP
SCHEMBL31582428 0.75 ALDH1A1 (0.63) SCN9AALDH1A1KDM4EHPGDGLA
SCHEMBL2323024 0.75 ALDH1A1 (0.63) SCN9AALDH1A1KDM4EHPGDGLA
SCHEMBL2328898 0.75 ALDH1A1 (0.51) SCN9AALDH1A1KDM4EHPGDGLA
SCHEMBL11746301 0.74 ALOX5 (0.47) ALOX5ALDH1A1GLAMAPK14APP
SCHEMBL11714741 0.73 ALOX5 (0.46) ALOX5ALDH1A1GLAMAPK14APP
SCHEMBL11711759 0.70 ALOX5 (0.44) ALOX5ALDH1A1KDM4EHPGDGLA

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 9 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
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 (4 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 3926/4885KCNH3 3443/4885ALOX5 42/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3607/4885KCNH3 3181/4885ALOX5 55/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 SCN9A 3044/4885KCNH3 1034/4885ALOX5 424/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 SCN9A 3926/4885KCNH3 3443/4885ALOX5 42/4885

“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.