SCHEMBL25786389

SCHEMBL25786389

CCn1nnc(-c2ccccc2Nc2cccc(F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ TRPM8 Q7Z2W7 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL20551925 0.88 ATM (0.41) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25786372 0.86 TSHR (0.49) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25786481 0.86 TSHR (0.49) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25781520 0.81 TSHR (0.49) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25787867 0.80 TSHR (0.45) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL20552784 0.79 ATM (0.43) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL20552976 0.77 TSHR (0.44) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25786557 0.76 TSHR (0.56) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25786548 0.76 TSHR (0.44) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25788798 0.76 TSHR (0.47) TSHRALDH1A1HPGDMEN1KMT2A

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 2680/4885ALDH1A1 3323/4885HPGD 1998/4885

“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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