SCHEMBL18973262

SCHEMBL18973262

CCC(C)NC(=O)c1ccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)nc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.63
GABRG2 P18507 19/20 0.63
GABRB3 P28472 19/20 0.63
GABRA5 P31644 19/20 0.63
GABRA3 P34903 19/20 0.63
GABRA2 P47869 19/20 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
SCHEMBL20530697 0.94 GABRA5 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973295 0.94 GABRA5 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30557640 0.94 GABRA5 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21362678 0.94 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973331 0.89 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973242 0.89 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973241 0.88 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26187850 0.88 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973208 0.87 GABRA5 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18973264 0.87 GABRA5 (0.64) 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 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 GABRA1 3/4885GABRG2 23/4885GABRB3 21/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 GABRA1 3/4885GABRG2 23/4885GABRB3 21/4885

“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.