SCHEMBL24144070

SCHEMBL24144070

NCCc1cn(Cc2ccccc2)c2cc(-c3ccncc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.54
▸ SERPINE1 P05121 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ HRH1 P35367 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ GRK2 P25098 1/20 0.46
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ NR1D1 P20393 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP19A1 P11511 3/20 0.44
▸ ICMT O60725 2/20 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
SCHEMBL24144386 0.90 LMNA (0.45) HTR6SERPINE1KCNH2DYRK1AHRH1
SCHEMBL24142882 0.89 HTR6 (0.44) HTR6SERPINE1KCNH2DYRK1AHRH1
SCHEMBL24143548 0.88 NFATC1 (0.50) HTR6SERPINE1DYRK1AEGFRIGF1R
SCHEMBL24144502 0.88 CYP19A1 (0.47) HTR6EGFRIGF1RFLT4KDR
SCHEMBL24144383 0.88 CYP19A1 (0.49) HTR6SERPINE1KCNH2DYRK1AHRH1
SCHEMBL24144290 0.88 HTR6 (0.41) HTR6SERPINE1KCNH2DYRK1AHRH1
SCHEMBL24143557 0.86 CYP19A1 (0.45) HTR6EGFRIGF1RFLT4KDR
SCHEMBL24142953 0.85 CYP19A1 (0.47) HTR6SERPINE1EGFRIGF1RFLT4
SCHEMBL24143555 0.85 ROCK2 (0.46) HTR6EGFRIGF1RFLT4KDR
SCHEMBL24143743 0.83 NR1D1 (0.50) HTR6NR1D1CYP19A1

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 HTR6 4613/4885SERPINE1 2798/4885KCNH2 4644/4885

“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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