SCHEMBL20553542

SCHEMBL20553542

Cc1nn(CCO)c(C)c1-c1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NR3C1 P04150 3/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ BCDIN3D Q7Z5W3 1/20 0.36
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ PTK2 Q05397 3/20 0.36
▸ TEAD1 P28347 1/20 0.34

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
SCHEMBL25786824 0.93 GAA (0.38) BRAFGAAKDM4EALDH1A1LMNA
SCHEMBL21749237 0.89 ALDH1A1 (0.44) GAAALDH1A1LMNADHODHBCDIN3D
SCHEMBL20553047 0.85 PTGDR2 (0.43) BRAFALDH1A1NR3C1PTGDR2MEN1
SCHEMBL20552661 0.82 BRAF (0.42) BRAFGAANR3C1DHODHBCDIN3D
SCHEMBL20552924 0.82 KMT2A (0.43) GAALMNANR3C1DHODHMEN1
SCHEMBL20552900 0.81 ABL1 (0.38) BRAFGAADHODHBCDIN3DEPHX2
SCHEMBL25786838 0.78 ALDH1A1 (0.46) GAAALDH1A1LMNABCDIN3DMAPT
SCHEMBL16739870 0.76 KCNH2 (0.41) BRAFGAAKDM4EALDH1A1LMNA
SCHEMBL21764712 0.75 PDK2 (0.50) JAK2JAK3PTK2
SCHEMBL20553004 0.74 LMNA (0.48) GAALMNADHODHPTGDR2MAPT

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 BRAF 436/4885GAA 3437/4885KDM4E 1536/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 BRAF 436/4885GAA 3437/4885KDM4E 1536/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 BRAF 1038/4885GAA 3205/4885KDM4E 2295/4885

“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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