SCHEMBL21054150

SCHEMBL21054150

Cn1nnc(-c2cc(Br)ccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ AHR P35869 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL29438898 0.88 MPO (0.50) TEAD1AKR1C3AKR1C2MPO
SCHEMBL21054312 0.88 MPO (0.50) TEAD1AKR1C3AKR1C2MPO
SCHEMBL20552757 0.84 HDAC6 (0.42) TEAD1YAP1KCNMA1ABCG2AKR1C3
SCHEMBL21054627 0.83 AKR1C3 (0.51) TEAD1YAP1ABCG2AKR1C3AKR1C2
SCHEMBL30062663 0.83 AKR1C3 (0.51) TEAD1YAP1ABCG2AKR1C3AKR1C2
SCHEMBL21749277 0.83 ABCG2 (0.48) ABCG2PDK2
SCHEMBL30062661 0.82 AKR1C3 (0.45) TEAD1YAP1ABCG2AKR1C3AKR1C2
SCHEMBL21054808 0.82 AKR1C3 (0.45) TEAD1YAP1ABCG2AKR1C3AKR1C2
SCHEMBL21054644 0.81 ABCG2 (0.46) TEAD1YAP1ABCG2AKR1C3AKR1C2
SCHEMBL21055838 0.81 ABCG2 (0.48) TEAD1YAP1ABCG2AKR1C3AKR1C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — 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 (1 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 TEAD1 4/4885YAP1 1/4885KCNMA1 4392/4885

“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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