SCHEMBL23554459

SCHEMBL23554459

COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1cnnn1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.64
GABRG2 P18507 17/20 0.64
GABRB3 P28472 17/20 0.64
GABRA3 P34903 17/20 0.64
GABRA2 P47869 15/20 0.64
GABRA5 P31644 12/20 0.64
GABRA4 P48169 2/20 0.43
GABRA6 Q16445 1/20 0.42
CACNA2D1 P54289 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6997450 0.86 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554349 0.84 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657908 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657907 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658946 0.83 GABRG2 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657548 0.82 GABRG2 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554590 0.82 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554672 0.81 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554502 0.81 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658641 0.81 GABRG2 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 GABRA1 858/4885GABRG2 1601/4885GABRB3 1889/4885

“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.