SCHEMBL21612052

SCHEMBL21612052

FC(F)(F)c1cc(NCc2nnc(-c3ccc(Oc4ccccc4)cc3)[nH]2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ GRK2 P25098 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ CHEK2 O96017 5/20 0.36
▸ SCD O00767 1/20 0.34
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL21614777 0.80 CYP3A4 (0.54) CYP2C19CYP3A4GRK2PDE10A
SCHEMBL21614660 0.79 CYP2C19 (0.63) CYP2C19CYP3A4CYP2C9
SCHEMBL21614661 0.79 CYP2C19 (0.57) CYP2C19CYP3A4GRK2CYP2C9TAS2R14
SCHEMBL21612024 0.78 CYP2C19 (0.55) CYP2C19CYP3A4GRK2PDE10ACYP2C9
SCHEMBL21614678 0.77 CYP2C19 (0.53) CYP2C19CYP3A4GRK2PDE10ACYP2C9
SCHEMBL21614707 0.76 CYP2C19 (0.55) CYP2C19CYP3A4GRK2CYP2C9LOXL2
SCHEMBL21614677 0.76 CYP2C19 (0.60) CYP2C19CYP3A4CYP2C9
SCHEMBL21611952 0.76 CYP3A4 (0.55) CYP2C19CYP3A4GRK2CYP2C9
SCHEMBL21612013 0.76 CYP2C19 (0.61) CYP2C19CYP3A4GRK2CYP2C9
SCHEMBL21611982 0.76 CYP2C19 (0.54) CYP2C19CYP3A4GRK2PDE10ACYP2C9

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-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 — — EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — WO disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — 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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 CYP2C19 1824/4885CYP3A4 3080/4885GRK2 89/4885

“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.

Send feedback