SCHEMBL2326019

SCHEMBL2326019

Nc1nncc(-c2ccc(F)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.68
ADORA2A P29274 4/20 0.68
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.47
ALOX5 P09917 1/20 0.47
ADORA2B P29275 2/20 0.41
NOS1 P29475 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDO2 P48775 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GLA P06280 1/20 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
SCHEMBL29914245 1.00 ADORA1 (0.68) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL3399237 0.81 ADORA2A (0.68) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL3398538 0.81 ADORA2A (1.00) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL3530116 0.81 ADORA2A (0.68) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL2322824 0.81 ADORA2A (0.68) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL2322815 0.81 ADORA2A (0.68) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL2320438 0.81 ADORA2A (0.53) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL2323331 0.80 ADORA2A (0.62) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL2325695 0.80 ADORA2A (0.67) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL31009002 0.80 ADORA2A (0.67) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E

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 20 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
CN-113166119-B Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-05 CN disclosed
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2023-01-19 US disclosed
US-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
CN-113166119-A Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-23 CN 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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
CN-101641093-A Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP US 2010-02-03 CN 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 (10 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 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 784/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 784/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 784/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 794/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 788/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 763/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 ADORA1 3/4885ADORA2A 1/4885ALDH1A1 251/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R ADORA1 19/4885ADORA2A 29/4885ALDH1A1 1211/4885
US-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ALDH1A1 612/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 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.