SCHEMBL963131

SCHEMBL963131

CCc1oc(CC(O)c2cc(N3CCOCC3)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)n2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.42
NPY1R P25929 11/20 0.42
PIK3CD O00329 1/20 0.31
PIK3C2B O00750 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
BRD4 O60885 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
SCHEMBL962767 0.84
SCHEMBL964405 0.83 SCN10A (0.30)
SCHEMBL964657 0.76 NPY1R (0.69) KCNH2NPY1R
SCHEMBL964437 0.74 KCNH2 (0.56) KCNH2NPY1RBRD4
SCHEMBL960988 0.69 HTR2C (0.34) PIK3CDPIK3C2BPIK3R1PIK3CB
SCHEMBL963970 0.66 KCNH2 (0.55) KCNH2NPY1R
SCHEMBL961369 0.66
SCHEMBL960822 0.65 KCNH2 (0.77) KCNH2NPY1RBRD4
SCHEMBL962233 0.65
SCHEMBL960171 0.65 KCNH2 (0.46) KCNH2NPY1RPIK3CB

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 2 patents. 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
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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 2/4885PIK3CD 3104/4885

“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.