SCHEMBL20680224

SCHEMBL20680224

Cc1cc(C)cc(CNc2cc(C)nc3c(C#N)cccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 16/20 0.52
▸ CYP3A4 P08684 4/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NR4A2 P43354 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL23117570 0.89 CD38 (0.65) CD38CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL20680295 0.88 CD38 (0.57) CD38CYP3A4KCNH2NR4A2
SCHEMBL20680310 0.86 CD38 (0.67) CD38CYP3A4KCNH2NR4A2
SCHEMBL20680427 0.86 CD38 (0.51) CD38CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL20680266 0.84 CD38 (0.57) CD38CYP3A4KCNH2
SCHEMBL20680209 0.84 CD38 (0.69) CD38CYP3A4KCNH2NR4A2
SCHEMBL20680335 0.83 CD38 (0.66) CD38CYP3A4KCNH2NR4A2
SCHEMBL20680326 0.82 CD38 (0.53) CD38CYP3A4KCNH2
SCHEMBL20680320 0.82 CD38 (0.53) CD38CYP3A4KCNH2
SCHEMBL20680506 0.82 CD38 (0.67) CD38CYP3A4KCNH2ALDH1A1

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 4 patents. 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
EP-3658586-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2020-06-03 — — EP disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 — — CN disclosed
WO-2019020643-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2019-01-31 — — WO 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 CD38 1/4885CYP3A4 4152/4885KCNH2 506/4885

“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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