SCHEMBL25786437

SCHEMBL25786437

CCOC(=O)Cn1cc(-c2ccccc2Nc2cccc(C(C)(F)F)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ MEF2D Q14814 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ACSS2 Q9NR19 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KCNK18 Q7Z418 1/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36

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
SCHEMBL20552312 0.94 CACNA1B (0.47) IRAK4CACNA1BAPBA1NPSR1SMN1; SMN2
SCHEMBL21765173 0.85 MAPK14 (0.43) IRAK4NPSR1MAPK14
SCHEMBL21749293 0.78 CACNA1B (0.44) CACNA1BAPBA1NPSR1TP53GRIN1
SCHEMBL20553196 0.78 GRIN1 (0.45) CACNA1BAPBA1NPSR1GRIN1GRIN2B
SCHEMBL25786325 0.76 XPO1 (0.46) NPSR1SMN1; SMN2TP53
SCHEMBL20552256 0.76 XPO1 (0.54) CACNA1BAPBA1NPSR1SMN1; SMN2TP53
SCHEMBL20553228 0.75 ALDH1A1 (0.46) SMN1; SMN2SIRT2YAP1TEAD4TEAD2
SCHEMBL25382666 0.74 MAPK14 (0.49) IRAK4NPSR1SMN1; SMN2MAPK14
SCHEMBL20553653 0.73 YAP1 (0.46) CACNA1BAPBA1NPSR1SMN1; SMN2GRIN1
SCHEMBL20553072 0.72 LMNA (0.45) CACNA1BAPBA1NPSR1TP53GRIN1

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 1 patent. 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

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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 IRAK4 2470/4885CACNA1B 4274/4885APBA1 706/4885

“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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