SCHEMBL20680233

SCHEMBL20680233

Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C#N)c2n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 17/20 0.70
▸ CYP3A4 P08684 3/20 0.70
▸ KCNH2 Q12809 1/20 0.52
▸ ACP1 P24666 1/20 0.46
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCD Q05655 1/20 0.43

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
SCHEMBL20680428 0.92 CD38 (0.71) CD38CYP3A4KCNH2
SCHEMBL20680266 0.88 CD38 (0.57) CD38CYP3A4KCNH2
SCHEMBL20680405 0.85 CD38 (0.67) CD38CYP3A4KCNH2
SCHEMBL20680506 0.85 CD38 (0.67) CD38CYP3A4KCNH2
SCHEMBL20680286 0.84 CD38 (0.68) CD38CYP3A4KCNH2
SCHEMBL20680390 0.84 CD38 (0.68) CD38CYP3A4KCNH2
SCHEMBL20680214 0.82 CD38 (0.56) CD38CYP3A4KCNH2
SCHEMBL20680223 0.82 CD38 (1.00) CD38CYP3A4KCNH2AURKARPS6KB1
SCHEMBL3052093 0.82 CD38 (0.68) CD38CYP3A4KCNH2ACP1
SCHEMBL23117570 0.81 CD38 (0.65) CD38CYP3A4KCNH2

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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