SCHEMBL21749293

SCHEMBL21749293

CCOC(=O)Cn1cc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ YAP1 P46937 1/20 0.44
▸ TEAD4 Q15561 1/20 0.44
▸ TEAD2 Q15562 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ NPY5R Q15761 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
SCHEMBL20551922 0.90 TRPM2 (0.41) NPSR1HTTDHODH
SCHEMBL20551995 0.89 YAP1 (0.47) YAP1TEAD4TEAD2LMNARECQL
SCHEMBL25786853 0.85 MEN1 (0.39) CYP2C9CYP2C19TP53DHODH
SCHEMBL20552312 0.84 CACNA1B (0.47) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20553196 0.84 GRIN1 (0.45) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20552230 0.83 ALDH1A1 (0.45) YAP1TEAD4TEAD2LMNARECQL
SCHEMBL20553072 0.83 LMNA (0.45) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20553653 0.81 YAP1 (0.46) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20552256 0.81 XPO1 (0.54) CACNA1BAPBA1NPSR1LMNATP53
SCHEMBL25786437 0.78 IRAK4 (0.43) CACNA1BAPBA1NPSR1YAP1TEAD4

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
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US 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 (3 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 CACNA1B 4609/4885APBA1 2516/4885NPSR1 4321/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 CACNA1B 4609/4885APBA1 2516/4885NPSR1 4321/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 CACNA1B 4274/4885APBA1 706/4885NPSR1 4607/4885

“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.

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