SCHEMBL20552233

SCHEMBL20552233

COc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(CCO)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.53
▸ TP53 P04637 2/20 0.46
▸ ACP1 P24666 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL20552891 0.92 ABCG2 (0.46) ABCG2TP53ACP1GSK3BSMN1; SMN2
SCHEMBL20552419 0.90 ABCG2 (0.42) ABCG2TP53MAPT
SCHEMBL20552644 0.88 HDAC6 (0.42) ABCG2TP53L3MBTL1MAPT
SCHEMBL20552985 0.88 ABCG2 (0.43) ABCG2TP53SMN1; SMN2MAPTTHRB
SCHEMBL20553430 0.87 MAPT (0.41) ABCG2TP53SMN1; SMN2POLBMAPT
SCHEMBL20552214 0.85 HDAC6 (0.43) ABCG2MAPT
SCHEMBL20552684 0.85 HDAC6 (0.40) ABCG2TP53SMN1; SMN2MAPTTHRB
SCHEMBL20551828 0.85 HDAC6 (0.43) ABCG2TP53MAPTTHRBTSHR
SCHEMBL20552757 0.85 HDAC6 (0.42) ABCG2TP53MAPT
SCHEMBL20552622 0.83 HDAC6 (0.39) ABCG2TP53MAPTTHRB

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 ABCG2 3004/4885TP53 10/4885ACP1 927/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ABCG2 3004/4885TP53 10/4885ACP1 927/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885TP53 145/4885ACP1 3737/4885

“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.

Send feedback