SCHEMBL961537

SCHEMBL961537

CCc1oc(C=Cc2cc(N3CCOCC3)cc(NC(=O)OC(C)(C)C)n2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.51
NPY1R P25929 12/20 0.46
BRD4 O60885 2/20 0.38
PRKDC P78527 1/20 0.37
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 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
SCHEMBL961535 1.00 KCNH2 (0.51) KCNH2NPY1RBRD4PRKDCCNR2
SCHEMBL960822 0.81 KCNH2 (0.77) KCNH2NPY1RBRD4PRKDCCNR2
SCHEMBL961779 0.81 NPY1R (0.65) KCNH2NPY1R
SCHEMBL962372 0.80 PRKDC (0.43) KCNH2BRD4PRKDCGAAMAPT
SCHEMBL7016153 0.74 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDCGAA
SCHEMBL12946506 0.74 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDCGAA
SCHEMBL962901 0.73 NPY1R (0.57) KCNH2NPY1R
SCHEMBL960914 0.72 NPY1R (0.64) KCNH2NPY1R
SCHEMBL7019934 0.71 NPY1R (0.61) KCNH2NPY1R
SCHEMBL7015353 0.71 KCNH2 (0.56) KCNH2NPY1RBRD4PRKDCGAA

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 1295/4885NPY1R 2/4885BRD4 115/4885

“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.