SCHEMBL23135805

SCHEMBL23135805

COc1ccc(CC(=O)Nc2nc3ccc(Nc4c(NCc5ccccc5)c(=O)c4=O)cc3s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 11/20 0.63
▸ WNT3A P56704 3/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ DYRK1A Q13627 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SCD O00767 1/20 0.51
▸ MET P08581 1/20 0.51

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
SCHEMBL23136930 0.88 CSNK1D (0.58) CSNK1DWNT3ACYP3A4MEN1KMT2A
SCHEMBL23136935 0.86 CSNK1D (0.78) CSNK1DWNT3ACYP3A4KDM4ELMNA
SCHEMBL23136894 0.84 CSNK1D (0.68) CSNK1DWNT3ACYP3A4KDM4ELMNA
SCHEMBL23136936 0.81 CASP3 (0.56) MAPTDYRK1AMEN1KMT2ASCD
SCHEMBL23136932 0.81 MAPT (0.71) CSNK1DWNT3ACYP3A4KDM4ELMNA
SCHEMBL4914800 0.81 CSNK1D (0.87) CSNK1DWNT3ACYP3A4KDM4EMAPT
SCHEMBL17287785 0.79 CSNK1D (1.00) CSNK1DWNT3ACYP3A4MEN1KMT2A
SCHEMBL17287759 0.75 CSNK1D (0.88) CSNK1DWNT3ACYP3A4
SCHEMBL17287673 0.74 CSNK1D (1.00) CSNK1DWNT3ACYP3A4POLBMAPT
SCHEMBL23135804 0.74 DYRK1A (0.67) CSNK1DKDM4EPOLBMAPTDYRK1A

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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 — — 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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 CSNK1D 4334/4885WNT3A 4484/4885CYP3A4 4152/4885

“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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