SCHEMBL963958

SCHEMBL963958

Cc1cc(CCc2cc(N3CCC(F)(F)CC3)cc(NC(=O)OC(C)(C)C)n2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
KIF18A Q8NI77 12/20 0.34
TGFBR1 P36897 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34
CCR5 P51681 1/20 0.33
NPY1R P25929 1/20 0.33
PTGER1 P34995 1/20 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
SCHEMBL13688205 0.84 KCNQ2 (0.39) KCNH2GSK3BDYRK1AKIF18AKCNQ3
SCHEMBL960582 0.82 KCNH2 (0.49) KCNH2KIF18ANPY1R
SCHEMBL112418 0.79 SCN9A (0.34) KCNH2GSK3BDYRK1AKIF18AKCNQ3
SCHEMBL113691 0.79 KIF18A (0.37) KIF18AKCNQ3KCNQ2TSHRFSHR
SCHEMBL503769 0.78 KCNH2 (0.33) KCNH2GSK3BDYRK1AKIF18AKCNQ3
SCHEMBL962171 0.78 NPY1R (0.48) KCNH2NPY1R
SCHEMBL963106 0.76 TSHR (0.38) GSK3BDYRK1AKIF18AKCNQ3KCNQ2
SCHEMBL13012098 0.76 SCN9A (0.35) KIF18AKCNQ3KCNQ2TSHRFSHR
SCHEMBL962961 0.76 NPY1R (0.50) KCNH2KIF18ANPY1R
SCHEMBL13012095 0.75 NOS3 (0.50)

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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R KCNH2 1295/4885GSK3B 4546/4885DYRK1A 985/4885

“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.