SCHEMBL23530232

SCHEMBL23530232

COC(=O)c1ccc2ncn(C3CCOC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
CNR2 P34972 2/20 0.38
MAP3K5 Q99683 2/20 0.36
HPGDS O60760 1/20 0.36
HTR3A P46098 4/20 0.36
ABL1 P00519 3/20 0.35
OPRM1 P35372 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL29549643 1.00 EGFR (0.39) EGFRHCAR1CNR2MAP3K5HPGDS
SCHEMBL23530035 0.93 HCAR1 (0.45) EGFRHCAR1ALDH1A1TP53
SCHEMBL29549887 0.93 HCAR1 (0.45) EGFRHCAR1ALDH1A1TP53
SCHEMBL23554637 0.82 EGFR (0.39) EGFRCNR2MAP3K5HPGDSHTR3A
SCHEMBL23530206 0.76 IRAK4 (0.47)
SCHEMBL23529971 0.76 HCAR1 (0.40) EGFRHCAR1CNR2ABL1LRRK2
SCHEMBL29549814 0.74 ALDH1A1 (0.41) EGFRHCAR1ALDH1A1TP53LRRK2
SCHEMBL23529902 0.74 ALDH1A1 (0.41) EGFRHCAR1ALDH1A1TP53LRRK2
SCHEMBL23529998 0.74 PIM2 (0.38) CNR2ALDH1A1
SCHEMBL29549902 0.74 PIM2 (0.38) CNR2ALDH1A1

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
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
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 EGFR 4196/4885HCAR1 2078/4885CNR2 1611/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 EGFR 1139/4885HCAR1 108/4885CNR2 48/4885

“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.