SCHEMBL23136936

SCHEMBL23136936

O=C(Nc1nc2ccc(Nc3c(NCc4ccccc4)c(=O)c3=O)cc2s1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ DYRK1A Q13627 2/20 0.55
▸ DYRK1B Q9Y463 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.54
▸ SCD O00767 6/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ LCK P06239 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49

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
SCHEMBL23136931 0.87 CASP3 (0.52) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL23135805 0.81 CSNK1D (0.63) DYRK1ASCDMEN1KMT2AMAPT
SCHEMBL23135818 0.81 DYRK1A (0.68) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL23136892 0.78 CASP3 (0.73) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL17667168 0.78 NPC1 (0.70) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL23136889 0.76 MAPT (0.75) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL28226353 0.76 DYRK1A (0.52) CASP3SENP8SENP7SENP6DYRK1A
SCHEMBL29788 0.75 HSD17B1 (0.82) DYRK1ADYRK1BLRRK2SCDSMN1; SMN2
SCHEMBL23135813 0.73 DYRK1A (0.60) DYRK1ADYRK1BSCDRAB9AMAPT
SCHEMBL17251803 0.73 CASP3 (0.65) CASP3SENP8SENP7SENP6DYRK1A

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 CASP3 2576/4885SENP8 2120/4885SENP7 2586/4885

“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.

Send feedback