SCHEMBL29377604

SCHEMBL29377604

COc1cccc(-c2c(C#Cc3c[nH]c4ncccc34)cccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ FGFR1 P11362 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ NEK1 Q96PY6 1/20 0.42
▸ GRIN2D O15399 1/20 0.42

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
SCHEMBL16720578 1.00 DHODH (0.50) DHODHMEN1KMT2APKMMAPK1
SCHEMBL16719423 0.79 CAMKK2 (0.38) DHODHPKMHTTLRRK2MAP2K1
SCHEMBL16719775 0.78 SYK (0.42) LRRK2MAP2K1AAK1
SCHEMBL16731647 0.78 DHODH (0.48) DHODHMEN1KMT2APKMMAPK1
SCHEMBL16720506 0.77 GPR35 (0.48) DHODHKMT2APRKAB2PRKAG1PRKAA2
SCHEMBL16720472 0.76 LRRK2 (0.48) KMT2ALRRK2MAP2K1AAK1
SCHEMBL16719567 0.76 LRRK2 (0.48) DHODHKMT2ALRRK2MAP2K1AAK1
SCHEMBL16720114 0.74 DHODH (0.44) DHODHMEN1KMT2APKMMAPK1
SCHEMBL16719516 0.74 MYC (0.47) DHODHLRRK2MAP2K1AAK1
SCHEMBL16720440 0.72 LRRK2 (0.44) KMT2ALRRK2MAP2K1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242317-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2022-02-08 — — US claimed
US-11242317-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2022-02-08 — — 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-11242317-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML DHODH 3351/4885MEN1 172/4885KMT2A 297/4885

“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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