SCHEMBL23416897

SCHEMBL23416897

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)s2)N(C)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ POLB P06746 2/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL19626552 0.84 TRPA1 (0.38) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19626366 0.81 PORCN (0.42) PORCNTRPA1TRPV4
SCHEMBL19626637 0.79 PORCN (0.51) PORCN
SCHEMBL23416909 0.79 PORCN (0.58) CYP1A2CYP3A4PORCNTRPA1
SCHEMBL22105263 0.77 PORCN (0.40) CYP1A2MEN1KMT2APOLBALDH1A1
SCHEMBL22105261 0.77 PSEN1 (0.41) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL19626687 0.76 SMN1; SMN2 (0.42) CYP1A2MEN1KMT2APOLBALDH1A1
SCHEMBL20029975 0.75 MEN1 (0.48) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL19997380 0.75 WNT3A (0.44) PORCNTRPA1
SCHEMBL22105260 0.75 KMT2A (0.46) MAPK1MEN1KMT2APOLBKDM4E

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 CYP1A2 452/4885MAPK1 1129/4885APOBEC3A 208/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP1A2 452/4885MAPK1 1129/4885APOBEC3A 208/4885

“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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