SCHEMBL2323331

SCHEMBL2323331

Nc1nncc(-c2ccc(F)c(F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.62
ADORA1 P30542 2/20 0.62
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 2/20 0.60
GAA P10253 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMO O15229 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
GPR68 Q15743 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL27791446 0.85 ADORA2A (0.66) ADORA2AADORA1ALDH1A1CYP1A2GAA
SCHEMBL2321136 0.85 ADORA2A (0.53) ADORA2AADORA1ALDH1A1CYP1A2GAA
SCHEMBL2326019 0.80 ADORA1 (0.68) ADORA2AADORA1ALDH1A1CYP1A2GAA
SCHEMBL29914245 0.80 ADORA1 (0.68) ADORA2AADORA1ALDH1A1CYP1A2GAA
SCHEMBL2323257 0.78 KDM4E (0.53) ADORA2AADORA1GABRG2GABRB3GABRA5
SCHEMBL30186623 0.78 KDM4E (0.53) ADORA2AADORA1GABRG2GABRB3GABRA5
SCHEMBL2320438 0.77 ADORA2A (0.53) ADORA2AADORA1ALDH1A1CYP1A2GAA
SCHEMBL3398538 0.77 ADORA2A (1.00) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL2322824 0.77 ADORA2A (0.68) ADORA2AADORA1ALDH1A1CYP11B2RAB9A
SCHEMBL3399073 0.76 CYP1A2 (0.64) ADORA2AADORA1ALDH1A1CYP1A2CYP2C9

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 15 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
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
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 (9 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 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 784/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 784/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 784/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 794/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 788/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 763/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 251/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R ADORA2A 29/4885ADORA1 19/4885ALDH1A1 1211/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ALDH1A1 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.