SCHEMBL23416896

SCHEMBL23416896

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccn3)cc2)N(C)C2OC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 2/20 0.49
▸ CASP3 P42574 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ MGLL Q99685 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23416906 0.80 PORCN (0.48) PORCNMEN1KMT2A
SCHEMBL19997380 0.79 WNT3A (0.44) PORCNTRPA1
SCHEMBL19997382 0.77 PORCN (0.40) PORCNCASP3CASP7MGLLHTT
SCHEMBL19626637 0.76 PORCN (0.51) PORCN
SCHEMBL21935695 0.75 PORCN (0.46) PORCNMGLLHTTTRPA1SMN1; SMN2
SCHEMBL19626687 0.74 SMN1; SMN2 (0.42) MGLLHTTMEN1ALDH1A1KMT2A
SCHEMBL18910695 0.74 SMN1; SMN2 (0.38) HTTMEN1ALDH1A1KMT2ALMNA
SCHEMBL19997366 0.73 POLB (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19626686 0.72 RAB9A (0.52) KDM4EMEN1ALDH1A1PKMKMT2A
SCHEMBL17626183 0.72 PORCN (0.69) PORCNALDH1A1TRPA1SMN1; SMN2

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-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 — — US disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 — — 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 (2 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-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 PORCN 3369/4885CASP3 2004/4885CASP7 2491/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 PORCN 3369/4885CASP3 2004/4885CASP7 2491/4885

“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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