SCHEMBL20970568

SCHEMBL20970568

CSC(C)N1CCN(C(=O)N2CCC(F)(F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.39
KCNH2 Q12809 5/20 0.37
CYP2D6 P10635 2/20 0.37
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPT P10636 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
SCHEMBL18390887 0.82 HRH3 (0.53) HRH3KCNH2CYP2D6
SCHEMBL27812244 0.78 ALDH1A1 (0.43) F13A1TGM2TGM1ALDH1A1DPP4
SCHEMBL18390871 0.74 CYP1A2 (0.46) F13A1TGM2TGM1ALDH1A1MAPT
SCHEMBL19493242 0.74 PIK3CD (0.47) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL25815899 0.73 DPP4 (0.38) CYP2D6ALDH1A1DPP4DPP7
SCHEMBL22680739 0.72 HRH3 (0.35) HRH3KCNH2CYP2D6
SCHEMBL21733058 0.72 MAPT (0.46) HRH3ALDH1A1MAPT
SCHEMBL28149214 0.69 DPP4 (0.47) HRH3F13A1TGM2TGM1ALDH1A1
SCHEMBL18704921 0.69 HRH3 (0.53) HRH3KCNH2CYP2D6
SCHEMBL18704932 0.69 HRH3 (0.50) HRH3KCNH2CYP2D6ALDH1A1DPP4

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-20190127375-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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885

“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.