SCHEMBL20965480

SCHEMBL20965480

CC(S)N1CCN(C(=O)C(O)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ HRH3 Q9Y5N1 8/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL18713205 0.86 EPHX2 (0.45) EPHX2HRH3CYP2D6KCNH2CHRM1
SCHEMBL18389809 0.78 CYP1A2 (0.45) EPHX2CHRM1
SCHEMBL20154460 0.77 ROCK2 (0.38) HRH3CYP2D6KCNH2CHRM1
SCHEMBL8829683 0.75 HPGD (0.43) MAPK1
SCHEMBL8829682 0.75 HPGD (0.43) MAPK1
SCHEMBL20970531 0.74 CHRM1 (0.43) CYP2D6CHRM1
SCHEMBL18704913 0.74 HRH3 (0.46) EPHX2HRH3CYP2D6KCNH2CHRM1
SCHEMBL19540884 0.74 HPGD (0.46) MAPK1
SCHEMBL19541097 0.74 HPGD (0.46) MAPK1
SCHEMBL20353673 0.72 MMP1 (0.38) CHRM1

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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 — — 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF EPHX2 2061/4885MAPK1 52/4885HRH3 1340/4885

“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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