SCHEMBL21362468

SCHEMBL21362468

COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)N5CCC(F)(F)CC5)cn4)nn23)no1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.51
GABRA1 P14867 17/20 0.51
GABRG2 P18507 17/20 0.51
GABRB3 P28472 17/20 0.51
GABRA3 P34903 17/20 0.51
GABRA2 P47869 17/20 0.51
GABRA4 P48169 1/20 0.51
GABRA6 Q16445 1/20 0.51
CACNA2D1 P54289 1/20 0.42
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL21362665 0.97 GABRA5 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362587 0.94 GABRA1 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973220 0.92 GABRA5 (0.61) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362608 0.92 GABRA5 (0.54) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL30338286 0.92 GABRA1 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362657 0.92 GABRA1 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362674 0.91 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL30096944 0.91 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362656 0.91 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362480 0.91 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20210009598-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF GABRA5, CYP3A5, GABRA4 GABRA5 1/4885GABRA1 6/4885GABRG2 17/4885

“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.