SCHEMBL31127526

SCHEMBL31127526

CC1=C(Cc2cncnc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.73
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HTT P42858 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ S100A4 P26447 3/20 0.41
▸ CDC25A P30304 2/20 0.41
▸ CDC25B P30305 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PKM P14618 5/20 0.40

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
SCHEMBL24844947 0.84 TBXAS1 (1.00) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL30106700 0.83 TBXAS1 (0.62) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL15698107 0.82 TBXAS1 (0.70) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL30106679 0.81 TBXAS1 (0.61) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL30106634 0.81 TBXAS1 (0.61) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL7912380 0.81 TBXAS1 (0.69) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL5810540 0.80 TBXAS1 (0.62) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL30106651 0.79 TBXAS1 (0.58) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL12761935 0.78 TBXAS1 (0.60) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL29906409 0.78 TBXAS1 (0.60) TBXAS1MAPTALDH1A1LMNAKDM4E

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-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION UNIVERSITE DE HAUTE ALSACE (FR) 2024-08-22 — — 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-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CYP1B1, CYP1A1, CYP2B6 TBXAS1 415/4885MAPT 4195/4885ALDH1A1 524/4885

“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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