SCHEMBL20392697

SCHEMBL20392697

COc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.52
▸ ADORA1 P30542 11/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAP4K4 O95819 5/20 0.46
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL20392686 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL30738319 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL21569365 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL20392684 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL23692313 0.81 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL3338046 0.80 MAP4K4 (0.60) MAP4K4RAF1BRAF
SCHEMBL21577444 0.80 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL21572914 0.78 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL21572894 0.78 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3MAP4K4
SCHEMBL20392699 0.78 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3MAPK14

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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