SCHEMBL24392145

SCHEMBL24392145

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ OPRK1 P41145 5/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PDE2A O00408 3/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ OPRL1 P41146 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
SCHEMBL24392676 0.88 CSNK2A2 (0.34) OPRK1HRH4PDE2AAKT1
SCHEMBL24392682 0.85 OPRK1 (0.34) OPRK1CNR1PDE2AAKT1
SCHEMBL24392146 0.83 OPRK1 (0.36) IRAK4VCPOPRK1CNR1AKT1
SCHEMBL24392148 0.77 DPP4 (0.34) PDE2ADPP4DPP7
SCHEMBL24391879 0.77 PDE2A (0.34) CNR1CNR2PDE2A
SCHEMBL24393217 0.73 PDE2A (0.32) PDE2A
SCHEMBL24391888 0.73 CHRM4 (0.42) AKT1
SCHEMBL24392190 0.72 PDE2A (0.34) PDE2A
SCHEMBL24393334 0.71 PDE2A (0.32) PDE2A
SCHEMBL24392137 0.69 PDE2A (0.39) PDE2A

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — WO 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 SMYD3 2613/4885IRAK4 3547/4885VCP 1347/4885

“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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