SCHEMBL20552415

SCHEMBL20552415

CC(=O)NCCn1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 1/20 0.47
▸ TEAD4 Q15561 1/20 0.47
▸ TEAD2 Q15562 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ DDX3X O00571 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ ABCG2 Q9UNQ0 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
SCHEMBL20552616 0.89 ABCG2 (0.47) LTA4HDDX3XABCG2
SCHEMBL20552589 0.88 RXFP1 (0.46) YAP1TEAD4TEAD2RXFP1DDX3X
SCHEMBL21764708 0.87 ALDH1A1 (0.44) YAP1TEAD4TEAD2RXFP1
SCHEMBL20552652 0.85 ALDH1A1 (0.46) YAP1TEAD4TEAD2RXFP1
SCHEMBL20553068 0.85 CYP11B1 (0.44) YAP1TEAD4TEAD2TRPV4RXFP1
SCHEMBL20552275 0.84 YAP1 (0.47) YAP1TEAD4TEAD2RXFP1MPO
SCHEMBL20551702 0.84 DDX3X (0.49) DDX3XABCG2
SCHEMBL20552262 0.83 KDM4E (0.52) YAP1TEAD4TEAD2RXFP1
SCHEMBL20552892 0.83 ALDH1A1 (0.44) YAP1TEAD4TEAD2RXFP1
SCHEMBL21749307 0.83 MAPT (0.49) YAP1TEAD4TEAD2RXFP1

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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