SCHEMBL20553158

SCHEMBL20553158

CCOC(=O)CCn1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 1/20 0.49
▸ TRPV4 Q9HBA0 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 5/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ TEAD4 Q15561 1/20 0.42
▸ TEAD2 Q15562 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL20552256 0.92 XPO1 (0.54) XPO1CACNA1BAPBA1NPSR1ALDH1A1
SCHEMBL25786325 0.85 XPO1 (0.46) XPO1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL20552652 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTYAP1TEAD4
SCHEMBL20552415 0.83 YAP1 (0.47) TRPV4ABCG2YAP1TEAD4TEAD2
SCHEMBL20552275 0.82 YAP1 (0.47) XPO1NPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21749242 0.82 TP53 (0.44) ALDH1A1TSHRSMN1; SMN2MAPTABCG2
SCHEMBL20552417 0.81 MAPT (0.55) XPO1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL20552262 0.81 KDM4E (0.52) XPO1NPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20552892 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTYAP1TEAD4
SCHEMBL21764708 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTYAP1TEAD4

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 XPO1 365/4885TRPV4 3780/4885CACNA1B 4609/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 XPO1 365/4885TRPV4 3780/4885CACNA1B 4609/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 XPO1 431/4885TRPV4 2076/4885CACNA1B 4274/4885

“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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