Sugi Predict

Sugi Predict / Compounds / SCHEMBL21362579

SCHEMBL21362579

SCHEMBL21362579

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 19/20 0.58
▸ GABRG2 P18507 19/20 0.58
▸ GABRB3 P28472 19/20 0.58
▸ GABRA5 P31644 19/20 0.58
▸ GABRA3 P34903 19/20 0.58
▸ GABRA2 P47869 18/20 0.58
▸ GABRA4 P48169 1/20 0.58
▸ GABRA6 Q16445 1/20 0.58
▸ CACNA2D1 P54289 1/20 0.49

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
SCHEMBL21362828 0.93 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30338442 0.93 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362470 0.93 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22905699 0.92 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362585 0.91 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973242 0.91 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362667 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362476 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362608 0.90 GABRA5 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362574 0.90 GABRA5 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 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
CN-110256440-B Phthalazine isoxazole alkoxy derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-05-23 — — CN disclosed
CN-115286636-A Nicotinamide crystal form and preparation method and application thereof 上海赛默罗生物科技有限公司 2022-11-04 — — 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 (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 GABRA1 6/4885GABRG2 17/4885GABRB3 7/4885

“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.