SCHEMBL25791121

SCHEMBL25791121

CCNC(=O)c1ccc(Nc2cccc(C(C)(C)F)c2)c(-c2nnn(C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ PDK2 Q15119 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ BRD4 O60885 7/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ EPHB2 P29323 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL21053159 0.94 MAPT (0.46) MAPTAKR1C3AKR1C2EPHB2DDR1
SCHEMBL25791116 0.87 NPSR1 (0.43) MAPTPDK2AKR1C3AKR1C2EPHB2
SCHEMBL30061347 0.85 ABCG2 (0.44) MAPTPDK2AKR1C3AKR1C2BRD4
SCHEMBL21090761 0.85 ABCG2 (0.44) MAPTPDK2AKR1C3AKR1C2BRD4
SCHEMBL21054684 0.83 AKR1C3 (0.47) MAPTAKR1C3AKR1C2EPHB2DDR1
SCHEMBL21054916 0.81 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1
SCHEMBL30061296 0.81 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1
SCHEMBL30063461 0.81 NPSR1 (0.52) MAPTAKR1C3AKR1C2EPHB2DDR1
SCHEMBL21090661 0.81 NPSR1 (0.52) MAPTAKR1C3AKR1C2EPHB2DDR1
SCHEMBL21090762 0.80 DDR2 (0.48) MAPTAKR1C3AKR1C2EPHB2DDR1

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 MAPT 516/4885PDK2 3742/4885TYK2 4659/4885

“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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