SCHEMBL24391766

SCHEMBL24391766

Cc1cc(C)n2ncnc(C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ RIPK1 Q13546 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL24391697 0.83 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL24391780 0.83 ACVRL1 (0.33) ALDH1A1
SCHEMBL24391796 0.79 EGLN2 (0.35) ALDH1A1
SCHEMBL24393051 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EPKMENPP1
SCHEMBL22055531 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EPKMENPP1
SCHEMBL66503 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL24392462 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EPKMENPP1
SCHEMBL24392490 0.73 KDM4E (0.48) ALDH1A1KDM4E
SCHEMBL24392173 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13968294 0.69 ALDH1A1 (0.31) ALDH1A1

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 ALDH1A1 754/4885RIPK1 3499/4885KDM4E 3129/4885

“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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