SCHEMBL18973259

SCHEMBL18973259

Cc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC5CCOC5)cn4)nn23)no1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.60
GABRA1 P14867 13/20 0.60
GABRG2 P18507 12/20 0.60
GABRB3 P28472 12/20 0.60
GABRA3 P34903 12/20 0.60
GABRA2 P47869 12/20 0.60
GABRA4 P48169 1/20 0.60
GABRA6 Q16445 1/20 0.60
CACNA2D1 P54289 1/20 0.53
ITGA5 P08648 1/20 0.41

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
SCHEMBL21362677 0.96 GABRA5 (0.61) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20530719 0.93 GABRA5 (0.65) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362606 0.92 GABRA5 (0.50) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973215 0.91 GABRA5 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973270 0.90 GABRA5 (0.57) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973258 0.90 GABRA5 (0.60) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362577 0.88 GABRA5 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973216 0.88 GABRA5 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973269 0.87 GABRA5 (0.57) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL26187871 0.87 GABRA5 (0.57) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP claimed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US claimed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US claimed
EP-3388433-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotech Co., Ltd (CN) 2018-10-17 EP claimed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
EP-3388433-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotech Co., Ltd (CN) 2018-10-17 EP disclosed
WO-2017097217-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2017-06-15 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 (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-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof GABRA5, CYP3A5, GABRA1 GABRA5 1/4885GABRA1 3/4885GABRG2 23/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 GABRA5 1/4885GABRA1 3/4885GABRG2 23/4885

“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.