SCHEMBL21569367

SCHEMBL21569367

[2H]C([2H])([2H])c1ncnc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.51
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MAPT P10636 1/20 0.46
NCOA1 Q15788 2/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALK Q9UM73 1/20 0.45
HPGD P15428 1/20 0.45
MTOR P42345 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL8021772 0.87 HTT (0.57) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL2622072 0.73 HTT (0.68) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL28343595 0.72 HTT (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL31469313 0.72 MPO (0.45) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL28546764 0.72 HTT (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL182875 0.72 LMNA (0.57) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL2508850 0.72 MAP4K4 (0.56) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3106281 0.72 HTT (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL934881 0.72 LMNA (0.58) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL934529 0.71 ALDH1A1 (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTT 2793/4885LMNA 2885/4885SMN1; SMN2 3922/4885
US-20210230138-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE ADORA2B, ADORA2A, ADORA1 HTT 2793/4885LMNA 2885/4885SMN1; SMN2 3922/4885
US-11014904-B2 1,2,4-triazine-3-amine derivative, preparation method therefor, and use thereof in medicine ADORA2B, ADORA2A, ADORA1 HTT 2793/4885LMNA 2885/4885SMN1; SMN2 3922/4885

“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.