SCHEMBL20392695

SCHEMBL20392695

Cc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3F)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.44
▸ ADORA1 P30542 10/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ MAP4K4 O95819 6/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CLK1 P49759 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PDK1 Q15118 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
SCHEMBL30738319 0.88 ADORA2A (0.59) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL20392686 0.88 ADORA2A (0.59) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL20392653 0.85 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3PDK1
SCHEMBL21569365 0.80 ADORA2A (0.52) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL20392542 0.79 ADORA2A (0.56) ADORA2AADORA1ADORA2BMAP4K4
SCHEMBL20392590 0.78 ADORA2A (0.59) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL30738356 0.76 CLK4 (0.39) ADORA2AADORA1ADORA2BMAP4K4CLK1
SCHEMBL22179732 0.76 CLK4 (0.39) ADORA2AADORA1ADORA2BMAP4K4CLK1
SCHEMBL21621288 0.75 ADORA1 (0.55) ADORA2AADORA1MAP4K4TGFBR1EGFR
SCHEMBL29947057 0.75 ADORA1 (0.55) ADORA2AADORA1MAP4K4TGFBR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884061-B 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-11-16 — — CN disclosed
US-20210230138-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO (CN) 2021-07-29 — — US disclosed
US-20210230138-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO (CN) 2021-07-29 — — US disclosed
US-11014904-B2 1,2,4-triazine-3-amine derivative, preparation method therefor, and use thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-05-25 — — US disclosed
US-11014904-B2 1,2,4-triazine-3-amine derivative, preparation method therefor, and use thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-05-25 — — US disclosed
US-20190352278-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-11-21 — — US disclosed
US-20190352278-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-11-21 — — US disclosed
EP-3569596-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co. Ltd. (CN) 2019-11-20 — — EP disclosed
EP-3569596-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co. Ltd. (CN) 2019-11-20 — — EP disclosed
WO-2018130184-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2018-07-19 — — 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 (3 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-20190352278-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885
US-20210230138-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885
US-11014904-B2 1,2,4-triazine-3-amine derivative, preparation method therefor, and use thereof in medicine ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.

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