SCHEMBL20746572

SCHEMBL20746572

Cn1ccnc1C(=O)/C=C/c1ccc(CC(=O)Nc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ANO1 Q5XXA6 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL20746573 1.00 EGFR (0.41) EGFRLMNAMAPTKMT2ANPSR1
SCHEMBL20746235 0.88 GAA (0.52) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL20746236 0.88 GAA (0.52) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL20746527 0.87 LMNA (0.38) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL20746529 0.87 LMNA (0.38) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL22733788 0.86 HDAC3 (0.45) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL22733789 0.86 HDAC3 (0.45) LMNAMAPTKMT2ANPSR1ANO1
SCHEMBL20746446 0.85 KMT2A (0.53) LMNAMAPTKMT2ANPSR1SMN1; SMN2
SCHEMBL20746448 0.85 KMT2A (0.53) LMNAMAPTKMT2ANPSR1SMN1; SMN2
SCHEMBL20746570 0.84 NPC1 (0.50) LMNAMAPTKMT2ANPSR1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 — — US claimed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 — — US disclosed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 — — US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 — — WO 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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 EGFR 1822/4885LMNA 2343/4885MAPT 3302/4885

“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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