SCHEMBL20680206

SCHEMBL20680206

Cc1cccc(CNc2cc(C)nc3c(Br)cccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 0.54
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP3A4 P08684 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ APP P05067 1/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL20680296 0.91 CD38 (0.54) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680443 0.90 CD38 (0.66) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680278 0.88 CD38 (0.55) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680241 0.88 CD38 (0.69) CD38GAAMAPTCYP3A4NR4A2
SCHEMBL20680267 0.85 CD38 (0.56) CD38GAAMAPTAPPAURKA
SCHEMBL3041496 0.84 CD38 (0.69) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680219 0.82 CD38 (0.56) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680330 0.82 CD38 (0.66) CD38GAAMAPTCYP3A4KCNH2
SCHEMBL20680312 0.81 CD38 (0.69) CD38GAAMAPT
SCHEMBL20680329 0.81 CD38 (0.83) CD38CYP3A4KCNH2AURKARPS6KB1

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 1/4885GAA 763/4885MAPT 636/4885

“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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