SCHEMBL23554589

SCHEMBL23554589

COC(=O)c1ccc2nc(CBr)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RECQL P46063 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL23530094 0.86 KDM4E (0.41) KDM4EKMT2AL3MBTL1LMNAPOLB
SCHEMBL21818768 0.80 KMT2A (0.48) KDM4EKMT2AL3MBTL1LMNAPOLB
SCHEMBL26096701 0.78 KDM4E (0.41) KDM4EKMT2AL3MBTL1LMNAPOLB
SCHEMBL23529941 0.77 KDM4E (0.46) KDM4EKMT2AL3MBTL1LMNAPOLB
SCHEMBL23530020 0.75 KDM4E (0.43) KDM4EKMT2AL3MBTL1LMNAPOLB
SCHEMBL22527890 0.73 KDM4E (0.52) KDM4EKMT2AL3MBTL1POLBTDP1
SCHEMBL23530006 0.73 HCAR2 (0.38) KDM4EKMT2AL3MBTL1RAB9ANPC1
SCHEMBL15830690 0.72 CSNK1D (0.51) PIK3CA
SCHEMBL31001935 0.71 RAB9A (0.38) KDM4EKMT2AL3MBTL1POLBTDP1
SCHEMBL23530230 0.70 CSNK1D (0.41) KDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP disclosed
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 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 (2 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 KDM4E 4228/4885KMT2A 4194/4885L3MBTL1 4632/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 KDM4E 3564/4885KMT2A 2933/4885L3MBTL1 4704/4885

“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.