SCHEMBL24392676

SCHEMBL24392676

Cc1cc(Cl)n2ncnc(N3CCC(NCC(F)(F)F)CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ PDE2A O00408 8/20 0.33
▸ OPRK1 P41145 5/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL24392682 0.93 OPRK1 (0.34) PDE2AOPRK1AKT1CYP1A2CYP2D6
SCHEMBL24392145 0.88 SMYD3 (0.34) PDE2AOPRK1AKT1HRH4
SCHEMBL24393217 0.85 PDE2A (0.32) PDE2A
SCHEMBL24392146 0.82 OPRK1 (0.36) CSNK2A2CSNK2A1OPRK1AKT1
SCHEMBL24393334 0.78 PDE2A (0.32) PDE2A
SCHEMBL24391888 0.76 CHRM4 (0.42) AKT1CYP2D6KIT
SCHEMBL24391879 0.76 PDE2A (0.34) PDE2AKIT
SCHEMBL24392190 0.75 PDE2A (0.34) PDE2AKIT
SCHEMBL24391708 0.73 PDE2A (0.33) PDE2AKIT
SCHEMBL24392137 0.72 PDE2A (0.39) PDE2APDE10A

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 CSNK2A2 918/4885CSNK2A1 777/4885PDE2A 23/4885

“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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