SCHEMBL25791116

SCHEMBL25791116

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDK2 Q15119 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ PTGER4 P35408 2/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ EPHB2 P29323 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ B3GNT2 Q9NY97 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 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
SCHEMBL30063461 0.94 NPSR1 (0.52) NPSR1AKR1C3AKR1C2PTGER4ABCG2
SCHEMBL21090661 0.94 NPSR1 (0.52) NPSR1AKR1C3AKR1C2PTGER4ABCG2
SCHEMBL25791121 0.87 MAPT (0.39) PDK2AKR1C3AKR1C2AAK1MAPT
SCHEMBL30061311 0.85 ABCG2 (0.46) NPSR1PDK2AKR1C3AKR1C2PTGER4
SCHEMBL21090678 0.85 ABCG2 (0.46) NPSR1PDK2AKR1C3AKR1C2PTGER4
SCHEMBL21054684 0.83 AKR1C3 (0.47) AKR1C3AKR1C2MAPTEPHB2DDR1
SCHEMBL25791037 0.82 MAPK14 (0.39) NPSR1PDK2AKR1C3AKR1C2ABCG2
SCHEMBL25790947 0.81 AKR1C3 (0.39) PDK2AKR1C3AKR1C2ABCG2NPC1
SCHEMBL21054301 0.81 AKR1C3 (0.47) AKR1C3AKR1C2ABCG2MAPT
SCHEMBL29438861 0.81 AKR1C3 (0.47) AKR1C3AKR1C2ABCG2MAPT

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 NPSR1 4607/4885PDK2 3742/4885AKR1C3 2063/4885

“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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