SCHEMBL20392690

SCHEMBL20392690

Nc1nnc(-c2cc(F)c3ncccc3c2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.56
▸ ADORA1 P30542 19/20 0.56
▸ ADORA2B P29275 4/20 0.56
▸ ADORA3 P0DMS8 2/20 0.51
▸ MAPK14 Q16539 1/20 0.41

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
SCHEMBL20392592 0.91 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL29669589 0.91 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20392758 0.88 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20392609 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20392552 0.84 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20392688 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20666042 0.81 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3MAPK14
SCHEMBL20392649 0.80 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL20667533 0.79 ADORA2A (0.58) ADORA2AADORA1ADORA3MAPK14
SCHEMBL20392541 0.79 ADORA2A (0.60) ADORA2AADORA1ADORA2B

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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