SCHEMBL2943783

SCHEMBL2943783

C#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.47
KCNH2 Q12809 12/20 0.47
CHEK1 O14757 1/20 0.38
ABL1 P00519 1/20 0.38
PRKCB P05771 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
MET P08581 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKCA P17252 1/20 0.38
CDK2 P24941 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL2944373 0.84 CHRNA7 (0.46) CHRNA7KCNH2HRH4
SCHEMBL2949253 0.78 CHRNA7 (0.50) CHRNA7KCNH2
SCHEMBL2947712 0.74 CHRNA7 (0.44) CHRNA7KCNH2
SCHEMBL9142845 0.71 CHRNA7 (0.46) CHRNA7KCNH2HRH4
SCHEMBL9142841 0.71 CHRNA7 (0.46) CHRNA7KCNH2HRH4
SCHEMBL9142849 0.71 CHRNA7 (0.46) CHRNA7KCNH2HRH4
SCHEMBL9141638 0.70 HRH4 (0.45) CHRNA7KCNH2HRH4
SCHEMBL9141644 0.70 HRH4 (0.45) CHRNA7KCNH2HRH4
SCHEMBL9141632 0.70 HRH4 (0.45) CHRNA7KCNH2HRH4
Benzene SCHEMBL2929682 0.70 CHRNA7 (0.44) CHRNA7KCNH2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750011-B2 Diazabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-07-06 US claimed
US-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2008-07-03 US claimed
EP-1866314-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-19 EP claimed
WO-2006087305-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-08-24 WO claimed
US-7750011-B2 Diazabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-07-06 US disclosed
US-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2008-07-03 US disclosed
EP-1866314-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-19 EP disclosed
WO-2006087305-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-08-24 WO 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-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA2 CHRNA7 7/4885KCNH2 719/4885CHEK1 2456/4885

“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.