SCHEMBL20553653

SCHEMBL20553653

CCOC(=O)Cn1ncc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 1/20 0.46
▸ TEAD4 Q15561 1/20 0.46
▸ TEAD2 Q15562 1/20 0.46
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2B Q13224 2/20 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
▸ TRPV4 Q9HBA0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL20552438 0.90 SMN1; SMN2 (0.46) NPSR1SMN1; SMN2MEN1KMT2AGRIN1
SCHEMBL20551966 0.89 YAP1 (0.49) YAP1TEAD4TEAD2MEN1KMT2A
SCHEMBL20553072 0.84 LMNA (0.45) YAP1TEAD4TEAD2CACNA1BAPBA1
SCHEMBL25786862 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNACYP2C9
SCHEMBL20553196 0.83 GRIN1 (0.45) YAP1TEAD4TEAD2CACNA1BAPBA1
SCHEMBL20552120 0.82 YAP1 (0.46) YAP1TEAD4TEAD2SMN1; SMN2MEN1
SCHEMBL21749293 0.81 CACNA1B (0.44) YAP1TEAD4TEAD2CACNA1BAPBA1
SCHEMBL20552256 0.79 XPO1 (0.54) CACNA1BAPBA1NPSR1SMN1; SMN2MEN1
SCHEMBL20552312 0.79 CACNA1B (0.47) YAP1TEAD4TEAD2CACNA1BAPBA1
SCHEMBL25786802 0.78 HTT (0.41) YAP1TEAD4TEAD2CACNA1BAPBA1

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 YAP1 1/4885TEAD4 7/4885TEAD2 3/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 YAP1 1/4885TEAD4 7/4885TEAD2 3/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 YAP1 9/4885TEAD4 2/4885TEAD2 3/4885

“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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