SCHEMBL21749277

SCHEMBL21749277

Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.48
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ PDK2 Q15119 1/20 0.44
▸ AXL P30530 2/20 0.42
▸ BRAF P15056 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
SCHEMBL20552813 0.93 ABCG2 (0.46) ABCG2TAS2R14ABCB1PDK2AXL
SCHEMBL25787707 0.90 PDK2 (0.43) ABCG2TAS2R14ABCB1PDK2AXL
SCHEMBL25787244 0.84 ABCG2 (0.46) ABCG2TAS2R14ABCB1BRAF
SCHEMBL21749269 0.84 ABCG2 (0.46) ABCG2TAS2R14ABCB1
SCHEMBL20552969 0.83 ABCG2 (0.43) ABCG2TAS2R14ABCB1
SCHEMBL25787257 0.83 DDX3X (0.55) ABCG2TAS2R14ABCB1
SCHEMBL21054150 0.83 TEAD1 (0.40) ABCG2PDK2
SCHEMBL20552265 0.83 ABCG2 (0.45) ABCG2TAS2R14ABCB1
SCHEMBL20552643 0.83 ABCG2 (0.47) ABCG2TAS2R14ABCB1
SCHEMBL21749295 0.83 ABCG2 (0.43) ABCG2TAS2R14ABCB1

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 6 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
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

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 3004/4885TAS2R14 4740/4885ABCB1 1774/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ABCG2 3004/4885TAS2R14 4740/4885ABCB1 1774/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885TAS2R14 3753/4885ABCB1 1588/4885

“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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