SCHEMBL25786706

SCHEMBL25786706

BC(C)(C)c1cccc(Nc2ccccc2-c2cnn(CCO)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.43
▸ KCNK18 Q7Z418 1/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ AXL P30530 6/20 0.40
▸ TYRO3 Q06418 6/20 0.40
▸ MERTK Q12866 6/20 0.40

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
SCHEMBL21749289 0.87 PDK2 (0.50) PDK2PDK1PDK3FGFR1DDR2
SCHEMBL25786733 0.80 PDK2 (0.46) PDK2KCNK18FGFR1DDR2
SCHEMBL20551821 0.77 PDK2 (0.52) PDK2FGFR1DDR2
SCHEMBL21764712 0.77 PDK2 (0.50) PDK2PDK1PDK3AXLTYRO3
SCHEMBL21765002 0.76 ALDH1A1 (0.42) FGFR1DDR2
SCHEMBL20553196 0.73 GRIN1 (0.45) PDK2FGFR1DDR2
SCHEMBL20552120 0.72 YAP1 (0.46) FGFR1DDR2
SCHEMBL20552230 0.70 ALDH1A1 (0.45) —
SCHEMBL25786600 0.70 KCNK18 (0.45) KCNK18
SCHEMBL24504902 0.70 KCNK18 (0.60) KCNK18

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 PDK2 3742/4885KCNK18 3394/4885PDK1 1985/4885

“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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