SCHEMBL14656129

SCHEMBL14656129

NC1=NN=CC(N)(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 6/20 0.32
MAOA P21397 6/20 0.32
MAOB P27338 6/20 0.32
OPRM1 P35372 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL14656043 0.77 CYP3A4 (0.35) OPRM1
SCHEMBL30921795 0.73 HDAC4 (0.35) BACE1ALDH1A1
SCHEMBL11385588 0.72
SCHEMBL2846014 0.70 BACE1 (0.37) BACE1BACE2ALDH1A1KDM1AMAOA
SCHEMBL14656128 0.60 BACE1 (0.42) BACE1BACE2MAOAMAOBPNMT
SCHEMBL9718904 0.59 BACE1 (0.37) BACE1BACE2ALDH1A1KDM1AMAOA
SCHEMBL31474775 0.58 BACE1 (0.40) BACE1BACE2ALDH1A1KDM1AMAOA
SCHEMBL31500571 0.58 BACE1 (0.43) BACE1BACE2KDM1AMAOAMAOB
SCHEMBL7327872 0.57 BACE1 (0.46) BACE1BACE2ALDH1A1
SCHEMBL6425652 0.56 OPRM1 (0.33) BACE1BACE2ALDH1A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2016-06-23 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
CN-102822150-B 1,2, 4-triazin-4-amine derivatives HEPTARES THERAPEUTICS LTD 2014-12-03 CN 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

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 BACE1 2706/4885BACE2 2705/4885ALDH1A1 784/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 BACE1 2706/4885BACE2 2705/4885ALDH1A1 784/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 BACE1 2706/4885BACE2 2705/4885ALDH1A1 784/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 BACE1 2703/4885BACE2 2675/4885ALDH1A1 794/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 BACE1 2613/4885BACE2 2589/4885ALDH1A1 788/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 BACE1 2747/4885BACE2 2667/4885ALDH1A1 763/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R BACE1 3015/4885BACE2 2739/4885ALDH1A1 1211/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 BACE1 2706/4885BACE2 2705/4885ALDH1A1 784/4885

“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.