SCHEMBL23529965

SCHEMBL23529965

COC(=O)c1ccc2c(ccn2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
PTGER4 P35408 1/20 0.45
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR4A2 P43354 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL29550054 1.00 KDM4E (0.46) KDM4EPTGER4MAPK1L3MBTL1MEN1
SCHEMBL10314921 0.86 KDM4E (0.36) KDM4EPTGER4MEN1KMT2ACYP1A2
SCHEMBL30547717 0.83 MGAM (0.47) KDM4EL3MBTL1MEN1KMT2ARAB9A
SCHEMBL19537489 0.81 CCNC (0.40) NPC1RAB9AGAA
SCHEMBL19531972 0.80 KDM4E (0.40) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL30838598 0.80 FAAH (0.38) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30163517 0.79 PTGER4 (0.41) KDM4EPTGER4MAPK1MEN1KMT2A
SCHEMBL25607242 0.78 PTGER4 (0.38) KDM4EPTGER4MAPK1L3MBTL1MEN1
SCHEMBL20983202 0.76 PDE1C (0.45) KDM4EPTGER4MAPK1L3MBTL1MEN1
SCHEMBL31721179 0.75 MAPK1 (0.41) KDM4EPTGER4MAPK1MEN1KMT2A

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 11 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
CN-112979655-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2021-06-18 CN 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 4228/4885PTGER4 377/4885MAPK1 2893/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 KDM4E 3564/4885PTGER4 965/4885MAPK1 2422/4885

“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.