SCHEMBL601155

SCHEMBL601155

COC1CCC(N2CCC(Nc3cc(Br)c(C(F)(F)F)cc3N)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32
MAP3K12 Q12852 1/20 0.32
NSD2 O96028 1/20 0.31
RIPK2 O43353 1/20 0.31
PDE7A Q13946 1/20 0.30
PIM1 P11309 1/20 0.30
UTS2R Q9UKP6 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
DYRK1A Q13627 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL601154 1.00 PIK3CA (0.36) PIK3CAPRKCQPRKCDTLR7HRH3
SCHEMBL601375 1.00 PIK3CA (0.36) PIK3CAPRKCQPRKCDTLR7HRH3
SCHEMBL602337 0.87 PIK3CA (0.33) PIK3CATLR7HRH3
SCHEMBL602338 0.87 PIK3CA (0.33) PIK3CATLR7HRH3
SCHEMBL603224 0.87 PIK3CA (0.33) PIK3CATLR7HRH3
SCHEMBL10190151 0.87 PIK3CA (0.40) PIK3CANSD2RIPK2PDE7ASIGMAR1
SCHEMBL10190143 0.87 PIK3CA (0.40) PIK3CANSD2RIPK2PDE7ASIGMAR1
SCHEMBL4903203 0.84 IRAK4 (0.36) PRKCQPRKCDTLR7HRH3MAP3K12
SCHEMBL602875 0.83 MAPK1 (0.39)
SCHEMBL602874 0.83 MAPK1 (0.39)

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-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107566-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PIK3CA 3012/4885PRKCQ 3421/4885PRKCD 2557/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PIK3CA 2820/4885PRKCQ 3922/4885PRKCD 2957/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 PIK3CA 2838/4885PRKCQ 1921/4885PRKCD 2188/4885

“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.