SCHEMBL22017132

SCHEMBL22017132

CCc1c(OC)cc(F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ IDO1 P14902 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ NR3C1 P04150 9/20 0.33
▸ NR3C2 P08235 6/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ PGR P06401 1/20 0.32

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
SCHEMBL22035471 0.82 PTGS2 (0.41) IDO1PTGS2PDE3BPDE3A
SCHEMBL16009749 0.82 HTR2A (0.39) HTR2AHTR2CCRHR1
SCHEMBL25745801 0.82 ACHE (0.41) HTR2AHTR2CNR3C1NR3C2PTGS2
SCHEMBL19871663 0.81 HTR2A (0.38) HTR2AHTR2CNR3C1NR3C2PTGS2
SCHEMBL25745865 0.79 HTR2A (0.37) HTR2AHTR2CPTGS2PDE3BPDE3A
SCHEMBL16257102 0.77 TAAR1 (0.38) PTGS2PDE3BPDE3A
SCHEMBL21957007 0.74 EPAS1 (0.41) HTR2AHTR2CIDO1NR3C1NR3C2
SCHEMBL30901285 0.74 EPAS1 (0.41) HTR2AHTR2CIDO1NR3C1NR3C2
SCHEMBL21264177 0.73 ATM (0.43) HTR2AHTR2CPGR
SCHEMBL22037341 0.71 HTR2A (0.36) HTR2AHTR2CIDO1NR3C2PGR

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — 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 (3 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 HTR2A 1691/4885HTR2C 804/4885IDO1 864/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 HTR2A 1691/4885HTR2C 804/4885IDO1 864/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 HTR2A 1691/4885HTR2C 804/4885IDO1 864/4885

“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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