SCHEMBL20552312

SCHEMBL20552312

CCOC(=O)Cn1cc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RECQL P46063 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
SCHEMBL25786437 0.94 IRAK4 (0.43) CACNA1BAPBA1NPSR1IRAK4YAP1
SCHEMBL21765173 0.90 MAPK14 (0.43) NPSR1IRAK4
SCHEMBL21749293 0.84 CACNA1B (0.44) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20553196 0.84 GRIN1 (0.45) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20552256 0.82 XPO1 (0.54) CACNA1BAPBA1NPSR1LMNASMN1; SMN2
SCHEMBL20553228 0.81 ALDH1A1 (0.46) YAP1TEAD4TEAD2LMNACYP1A2
SCHEMBL20553653 0.79 YAP1 (0.46) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20553072 0.78 LMNA (0.45) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL20553158 0.78 XPO1 (0.49) CACNA1BAPBA1NPSR1YAP1TEAD4
SCHEMBL25786325 0.75 XPO1 (0.46) NPSR1LMNASMN1; SMN2ALDH1A1

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
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
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP 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
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — 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 (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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