SCHEMBL22105263

SCHEMBL22105263

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cncs3)cc2)N(C)C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 3/20 0.40
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ TRPA1 O75762 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL21935695 0.85 PORCN (0.46) PORCNTP53TRPA1TRPV4IDO1
SCHEMBL20029975 0.82 MEN1 (0.48) MAPTTP53TRPA1POLBMEN1
SCHEMBL19626686 0.82 RAB9A (0.52) MAPTTP53TRPA1TRPV4IDO1
SCHEMBL22105261 0.81 PSEN1 (0.41) PORCNMAPTIDO1MEN1LMNA
SCHEMBL19997382 0.81 PORCN (0.40) PORCNMAPTTP53TRPA1TRPV4
SCHEMBL19626687 0.80 SMN1; SMN2 (0.42) MAPTPOLBIDO1MGLLMEN1
SCHEMBL19590905 0.80 TRPA1 (0.41) PORCNMAPTTP53TRPA1POLB
SCHEMBL19590943 0.80 GAA (0.45) POLBLMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL22105260 0.79 KMT2A (0.46) MAPTPOLBIDO1MEN1LMNA
SCHEMBL19626536 0.79 MAPT (0.47) MAPTTP53TRPA1MEN1LMNA

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-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 — — US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 — — 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-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 PORCN 3761/4885MAPT 4783/4885TP53 2830/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 PORCN 3761/4885MAPT 4783/4885TP53 2830/4885

“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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