SCHEMBL25790940

SCHEMBL25790940

COC(=O)c1ccc(Nc2ccc(C(C)(F)F)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.41
▸ MYC P01106 1/20 0.39
▸ MAX P61244 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21055838 0.93 ABCG2 (0.48) ABCG2MYCMAXGAAMAPK14
SCHEMBL30062650 0.93 ABCG2 (0.48) ABCG2MYCMAXGAAMAPK14
SCHEMBL25790954 0.90 GAA (0.39) ABCG2MYCMAXGAANPC1
SCHEMBL21090677 0.86 AKR1C3 (0.42) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21054146 0.84 HPGD (0.41) ABCG2GAANPC1TP53RAB9A
SCHEMBL30061322 0.84 HPGD (0.41) ABCG2GAANPC1TP53RAB9A
SCHEMBL25790947 0.84 AKR1C3 (0.39) ABCG2MYCMAXNPC1RAB9A
SCHEMBL21054301 0.84 AKR1C3 (0.47) ABCG2MYCMAXTLR2TLR1
SCHEMBL29438861 0.84 AKR1C3 (0.47) ABCG2MYCMAXTLR2TLR1
SCHEMBL21091056 0.84 TYK2 (0.41) GAAMAPK14KDM4EKMT2AMEN1

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 2217/4885MYC 31/4885MAX 2331/4885

“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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