SCHEMBL25787092

SCHEMBL25787092

CC(=O)N(I)CCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.45
▸ ABCB1 P08183 2/20 0.42
▸ DDX3X O00571 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL20553061 0.87 DDX3X (0.47) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL21749295 0.85 ABCG2 (0.43) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL20552616 0.83 ABCG2 (0.47) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL20551702 0.82 DDX3X (0.49) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL20552643 0.82 ABCG2 (0.47) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL20552773 0.82 LMNA (0.47) ABCG2ABCB1LMNAALDH1A1MAPT
SCHEMBL21749296 0.81 DDX3X (0.43) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL20552875 0.81 ABCG2 (0.53) ABCG2ABCB1LMNAALDH1A1MAPT
SCHEMBL25787152 0.81 DDX3X (0.43) ABCG2ABCB1DDX3XLMNAALDH1A1
SCHEMBL21749269 0.81 ABCG2 (0.46) ABCG2ABCB1DDX3XLMNAALDH1A1

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 ABCG2 2217/4885ABCB1 1588/4885DDX3X 1986/4885

“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.

Send feedback