SCHEMBL30763501

SCHEMBL30763501

COc1ccc(-c2ncc(CNc3cc(N)nc(C(F)(F)F)n3)s2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KCNH2 Q12809 1/20 0.43
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ BCL6 P41182 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ PPARD Q03181 2/20 0.33

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
SCHEMBL21614658 1.00 CYP2C19 (0.51) CYP2C19CYP2C9KCNH2ADORA2AADORA1
SCHEMBL21614652 0.84 CYP2C19 (0.41) CYP2C19CYP2C9KCNH2ADORA2AADORA1
SCHEMBL21611978 0.80 CYP2C19 (0.44) CYP2C19CYP2C9KCNH2ADORA2AADORA1
SCHEMBL21614731 0.77 CYP2C19 (0.81) CYP2C19CYP2C9KCNH2LMNACDK2
SCHEMBL21611951 0.69 CYP2C19 (0.81) CYP2C19CYP2C9KCNH2LMNACDK2
SCHEMBL21612041 0.69 CYP2C19 (0.79) CYP2C19CYP2C9KCNH2
SCHEMBL21611977 0.67 CYP2C19 (0.39) CYP2C19CYP2C9KCNH2ADORA2AADORA1
SCHEMBL21614703 0.66 CYP2C19 (0.68) CYP2C19CYP2C9KCNH2LMNACDK2
SCHEMBL21614737 0.66 CYP2C19 (0.73) CYP2C19CYP2C9KCNH2
SCHEMBL17027854 0.60 PIK3CD (0.51) KCNH2ADORA2AADORA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 — — US 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-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 CYP2C19 1824/4885CYP2C9 2997/4885KCNH2 2343/4885

“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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