SCHEMBL20552909

SCHEMBL20552909

CC(C)(C)NC(=O)OCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DDX3X O00571 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20553472 0.87 ABCG2 (0.46) ABCG2HPGDABCB1MAPTLMNA
SCHEMBL25787077 0.86 ABCG2 (0.42) ABCG2HPGDABCB1MAPTLMNA
SCHEMBL20553129 0.85 HPGD (0.61) ABCG2HPGDNPC1RAB9AL3MBTL1
SCHEMBL20552483 0.84 DDX3X (0.46) ABCG2HPGDNPC1RAB9AL3MBTL1
SCHEMBL20552459 0.83 ABCG2 (0.47) ABCG2HPGDABCB1MAPTLMNA
SCHEMBL20552806 0.82 ABCG2 (0.43) ABCG2ABCB1MAPTLMNAALDH1A1
SCHEMBL21749240 0.81 ABCG2 (0.43) ABCG2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL20552388 0.81 ABCG2 (0.45) ABCG2ABCB1MAPTLMNAALDH1A1
SCHEMBL20552417 0.80 MAPT (0.55) ABCG2HPGDL3MBTL1MAPTLMNA
SCHEMBL20552643 0.80 ABCG2 (0.47) ABCG2ABCB1MAPTLMNAALDH1A1

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 3004/4885HPGD 1367/4885NPC1 1229/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ABCG2 3004/4885HPGD 1367/4885NPC1 1229/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885HPGD 1998/4885NPC1 2127/4885

“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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