SCHEMBL24392237

SCHEMBL24392237

COc1cc(OC)c2ncnc(C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.41
▸ PDE5A O76074 2/20 0.40
▸ PDE1B Q01064 2/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE2A O00408 1/20 0.34

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
SCHEMBL24391689 0.82 PDE1B (0.37) PDE10APDE5APDE1BALDH1A1EGFR
SCHEMBL12141928 0.79 PDE5A (0.62) PDE5APDE1B
SCHEMBL20813807 0.77 PDE5A (0.42) PDE10APDE5ACYP1A1CYP1B1EGFR
SCHEMBL22644982 0.76 PDE1B (0.48) PDE5APDE1BEGFRHPGDMEN1
SCHEMBL20813448 0.76 PDE5A (0.41) PDE10APDE5ACYP1A1CYP1B1ALDH1A1
SCHEMBL14671423 0.76 POLB (0.50) PDE10APDE5ACYP1A1CYP1B1ALDH1A1
SCHEMBL24067435 0.75 PDE5A (0.41) PDE10APDE5ACYP1A1CYP1B1ALDH1A1
SCHEMBL24916219 0.74 PDE10A (0.41) PDE10APDE5AALDH1A1KDM4EHPGD
SCHEMBL21348051 0.73 MAPT (0.54) ALDH1A1EGFRLCKHPGDMAPK1
SCHEMBL24392339 0.73 ALDH1A1 (0.51) PDE5APDE1BALDH1A1EGFRLCK

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 PDE10A 111/4885PDE5A 13/4885PDE1B 37/4885

“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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