SCHEMBL20530697

SCHEMBL20530697

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.63
GABRA1 P14867 16/20 0.63
GABRG2 P18507 16/20 0.63
GABRB3 P28472 16/20 0.63
GABRA3 P34903 16/20 0.63
GABRA2 P47869 16/20 0.63
GABRA4 P48169 1/20 0.63
GABRA6 Q16445 1/20 0.63
CACNA2D1 P54289 1/20 0.53

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
SCHEMBL30557640 1.00 GABRA5 (0.63) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973295 1.00 GABRA5 (0.63) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973262 0.94 GABRA1 (0.63) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362678 0.94 GABRA1 (0.67) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973274 0.92 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20530721 0.92 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973191 0.88 GABRA1 (0.63) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973201 0.88 GABRA1 (0.63) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973241 0.88 GABRA1 (0.70) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL26187850 0.88 GABRA1 (0.72) 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 8 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
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
EP-3388433-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotech Co., Ltd (CN) 2018-10-17 EP 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.