SCHEMBL4114261

SCHEMBL4114261

CN1C[C@H]2CN(c3cncc(-c4cnc5[nH]ccc5c4)c3)C[C@H]21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
PIK3CA P42336 5/20 0.45
PIK3CD O00329 3/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
CDK8 P49336 5/20 0.43
AXL P30530 1/20 0.43
RIPK1 Q13546 2/20 0.41
BRD4 O60885 1/20 0.40
KDR P35968 2/20 0.39
MTOR P42345 2/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
PLK4 O00444 1/20 0.39
DCLK1 O15075 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL4114266 1.00 KCNH2 (0.56) KCNH2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4108857 0.88 KCNH2 (0.45) KCNH2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4113439 0.85 KCNH2 (0.70) KCNH2LRRK2CHRNB4CHRNA3CHRNA7
SCHEMBL4113432 0.85 KCNH2 (0.70) KCNH2LRRK2CHRNB4CHRNA3CHRNA7
SCHEMBL4114880 0.85 KCNH2 (0.70) KCNH2LRRK2CHRNB4CHRNA3CHRNA7
SCHEMBL4114882 0.85 KCNH2 (0.70) KCNH2LRRK2CHRNB4CHRNA3CHRNA7
SCHEMBL4108271 0.83 KCNH2 (0.60) KCNH2CHRNB4CHRNA3CHRNA7
SCHEMBL4102255 0.83 KCNH2 (0.60) KCNH2CHRNB4CHRNA3CHRNA7
SCHEMBL4108266 0.83 KCNH2 (0.60) KCNH2CHRNB4CHRNA3CHRNA7
SCHEMBL4102248 0.83 KCNH2 (0.60) KCNH2CHRNB4CHRNA3CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP claimed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP claimed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 US claimed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC KCNH2 2724/4885PIK3CA 829/4885PIK3CD 1242/4885

“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.