SCHEMBL21362830

SCHEMBL21362830

CCNC(=O)c1ccc(CO)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCAR3 P49019 1/20 0.41
GABRA5 P31644 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SCN9A Q15858 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL22692894 0.88 HPGDS (0.46) HPGDSKDM4EEGLN1L3MBTL1HCAR3
SCHEMBL9517022 0.88
SCHEMBL9519106 0.85 EGFR (0.50)
SCHEMBL9519685 0.81 CASP3 (0.48) MEN1KMT2A
SCHEMBL17060904 0.81 KDM4E (0.49) HPGDSKDM4EMEN1NPC1RAB9A
SCHEMBL9561524 0.79 ALDH1A1 (0.51) HPGDSKDM4EMEN1NPC1RAB9A
SCHEMBL5431621 0.79 KDM4E (0.67) HPGDSKDM4EKMT2AGABRA5HDAC1
SCHEMBL18022784 0.78 KDM4E (0.50) KDM4EMEN1KMT2ASCN9A
SCHEMBL2749675 0.78 KCNJ1 (0.45) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL31098145 0.78 KCNJ1 (0.45) MEN1NPC1RAB9AKMT2AL3MBTL1

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 15 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
EP-3766882-B1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2023-08-23 EP 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
EP-3766882-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2021-01-20 EP disclosed
US-20210009598-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai SIMRD Biotechnology Co., Ltd (CN) 2021-01-14 US disclosed
WO-2019174577-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2019-09-19 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 HPGDS 773/4885KDM4E 4228/4885EGLN1 2028/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 HPGDS 3092/4885KDM4E 3564/4885EGLN1 1693/4885
US-20210009598-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF GABRA5, CYP3A5, GABRA4 HPGDS 2467/4885KDM4E 2657/4885EGLN1 2812/4885

“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.