SCHEMBL25786399

SCHEMBL25786399

CCn1nnc(-c2ccccc2Nc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.49
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41

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
SCHEMBL20553560 0.89 ABL1 (0.45) TSHRSMN1; SMN2LMNAMAPTUSP2
SCHEMBL21749294 0.86 MAPT (0.42) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL20552250 0.85 LMNA (0.52) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20552398 0.85 MAPT (0.52) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL21749274 0.85 MAPT (0.41) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL20553212 0.85 LMNA (0.54) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20552248 0.84 LMNA (0.51) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL21749272 0.84 FLT1 (0.47) SMN1; SMN2LMNAMAPTUSP2L3MBTL1
SCHEMBL20552904 0.84 MAPT (0.51) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL25786372 0.83 TSHR (0.49) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1

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 TSHR 2680/4885KMT2A 1804/4885MEN1 3125/4885

“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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