SCHEMBL24143804

SCHEMBL24143804

CC(C)Cn1cc(C(C)CN)c2ccc(-c3ccncc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 9/20 0.53
▸ KCNH2 Q12809 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ AAK1 Q2M2I8 8/20 0.40
▸ ICMT O60725 1/20 0.38
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL24142877 0.88 NR1D1 (0.49) NR1D1ICMT
SCHEMBL24143308 0.82 NR1D1 (0.63) NR1D1KCNH2DYRK1AAAK1ICMT
SCHEMBL24142979 0.81 NR1D1 (0.67) NR1D1KCNH2DYRK1AICMT
SCHEMBL24143419 0.80 NR1D1 (0.69) NR1D1KCNH2DYRK1A
SCHEMBL24143668 0.79 NR1D1 (0.53) NR1D1KCNH2DYRK1AAAK1ICMT
SCHEMBL24143622 0.79 NR1D1 (0.64) NR1D1KCNH2DYRK1AICMT
SCHEMBL24143425 0.79 NR1D1 (0.67) NR1D1KCNH2DYRK1AICMT
SCHEMBL24144496 0.78 NR1D1 (0.61) NR1D1KCNH2DYRK1AAAK1ICMT
SCHEMBL24143422 0.78 NR1D1 (0.63) NR1D1KCNH2DYRK1AAAK1ICMT
SCHEMBL26673768 0.77 NR1D1 (0.49) NR1D1KCNH2DYRK1AAAK1ICMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 NR1D1 3/4885KCNH2 4644/4885DYRK1A 2623/4885

“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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