SCHEMBL2324397

SCHEMBL2324397

NC1=NC(N)(c2ccc(F)cc2)C(c2ccccc2)=NN1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.38
ADORA1 P30542 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFE2L2 Q16236 1/20 0.33
BACE1 P56817 2/20 0.32
ADORA2A P29274 2/20 0.32
AKT1 P31749 3/20 0.32
AKT2 P31751 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP2K4 P45985 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
SCHEMBL2323802 0.86 MECP2 (0.35) ADORA1GAAALDH1A1BACE1ADORA2A
SCHEMBL14656054 0.86 MEN1 (0.36) ADORA1GAAPOLBALDH1A1BACE1
SCHEMBL2322414 0.86 ALDH1A1 (0.35) ADORA1GAAMKNK2ALDH1A1BACE1
SCHEMBL2324807 0.74 RAB9A (0.33) ALDH1A1SMN1; SMN2
SCHEMBL2324400 0.70 NPY5R (0.44) NPY5RADORA1GAAPOLBNFE2L2
SCHEMBL490744 0.61 NPY5R (0.44) NPY5RADORA1GAAPOLBALDH1A1
SCHEMBL4286563 0.60 GRM4 (0.35) NPY5RNFE2L2BACE1
SCHEMBL12444110 0.57 ALDH1A1 (0.60) POLBALDH1A1NFE2L2
SCHEMBL7938359 0.57 ALDH1A1 (0.60) POLBALDH1A1NFE2L2
SCHEMBL412237 0.57 ALDH1A1 (0.60) POLBALDH1A1NFE2L2

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-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
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 NPY5R 114/4885ADORA1 3/4885GAA 4717/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 NPY5R 114/4885ADORA1 3/4885GAA 4717/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 NPY5R 114/4885ADORA1 3/4885GAA 4717/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 NPY5R 121/4885ADORA1 3/4885GAA 4699/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 NPY5R 133/4885ADORA1 3/4885GAA 4759/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 NPY5R 106/4885ADORA1 3/4885GAA 4717/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R NPY5R 67/4885ADORA1 19/4885GAA 4709/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 NPY5R 114/4885ADORA1 3/4885GAA 4717/4885

“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.