SCHEMBL20392630

SCHEMBL20392630

OCc1ccnc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.48
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CCNC P24863 2/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ GAK O14976 1/20 0.43
▸ EPHB6 O15197 1/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ STK16 O75716 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ COQ8A Q8NI60 1/20 0.43
▸ NLK Q9UBE8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL1496398 0.87 ALK (0.51) SLC22A12LMNAMAPTCYP19A1GAK
SCHEMBL22122314 0.86 LMNA (0.48) SLC22A12LMNAMAPTCCNCCDK8
SCHEMBL20392628 0.84 SLC22A12 (0.46) SLC22A12LMNAMAPTCCNCCDK8
SCHEMBL20392611 0.82 SLC22A12 (0.53) SLC22A12LMNAMAPTCCNCCDK8
SCHEMBL28851820 0.82 SLC22A12 (0.45) SLC22A12LMNAMAPTCCNCCDK8
SCHEMBL10045001 0.80 SLC22A12 (0.48) SLC22A12LMNAMAPTCYP19A1KDM4E
SCHEMBL334360 0.77 LOXL2 (0.67) LMNAMAPTCYP19A1NCF1KDM4E
SCHEMBL31599195 0.77 LOXL2 (0.67) LMNAMAPTCYP19A1NCF1KDM4E
SCHEMBL360254 0.76 SLC22A12 (0.51) SLC22A12LMNAMAPTCCNCCDK8
SCHEMBL22122307 0.76 SLC22A12 (0.47) SLC22A12MAPTCCNCCDK8GAK

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 7 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-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
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 SLC22A12 858/4885LMNA 2885/4885MAPT 4231/4885
US-20210230138-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE ADORA2B, ADORA2A, ADORA1 SLC22A12 858/4885LMNA 2885/4885MAPT 4231/4885
US-11014904-B2 1,2,4-triazine-3-amine derivative, preparation method therefor, and use thereof in medicine ADORA2B, ADORA2A, ADORA1 SLC22A12 858/4885LMNA 2885/4885MAPT 4231/4885

“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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