SCHEMBL15855938

SCHEMBL15855938

CC1=CC(=O)c2ccncc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ BLM P54132 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ CYP3A4 P08684 6/20 0.57
▸ TP53 P04637 5/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ CDC25B P30305 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAOA P21397 2/20 0.57
▸ MAOB P27338 2/20 0.57
▸ ATM Q13315 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ HSPD1 P10809 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CDC25A P30304 2/20 0.57
▸ HSPE1 P61604 2/20 0.57
▸ TST Q16762 2/20 0.57

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
SCHEMBL16879448 0.77 MAOA (0.52) MAPTBLMSMN1; SMN2CYP3A4TP53
Caulibugulone A SCHEMBL2555738 0.77 MAPT (0.63) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL11088784 0.77 CDC25B (0.61) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL30616365 0.74 MAOA (0.86) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL20618218 0.74 MAOA (0.77) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL31112247 0.74 MAOA (0.77) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL8417659 0.74 MAOA (0.86) MAPTBLMSMN1; SMN2CYP3A4TP53
SCHEMBL16685145 0.74 MAOA (0.70) MAPTBLMSMN1; SMN2CYP3A4TP53
Menadione SCHEMBL1364028 0.73 MAPT (1.00) MAPTBLMSMN1; SMN2CYP3A4TP53
Menadione SCHEMBL25970 0.73 MAPT (1.00) MAPTBLMSMN1; SMN2CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 — — EP disclosed
US-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF THE KITASATO INSTITUTE (JP) 2015-12-03 — — US disclosed
US-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF THE KITASATO INSTITUTE (JP) 2015-12-03 — — US disclosed
EP-2939668-A1 PDK4 INHIBITOR AND USE THEREOF The Kitasato Institute (JP) 2015-11-04 — — EP disclosed
WO-2014103321-A1 PDK4 INHIBITOR AND USE THEREOF 学校法人北里研究所 (JP) 2014-07-03 — — 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-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF PDK4, PDK3, PDK2 MAPT 2524/4885BLM 3394/4885SMN1; SMN2 4431/4885

“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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