SCHEMBL4181868

SCHEMBL4181868

N#Cc1ccc(-c2noc(-c3cc(C#N)cc(CS)c3)n2)nc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.71
KCNH2 Q12809 1/20 0.71
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA4 P43681 1/20 0.41
S1PR1 P21453 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
STAT3 P40763 1/20 0.35

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
SCHEMBL4197921 0.90 GRM5 (0.77) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4193959 0.85 GRM5 (0.80) GRM5KCNH2
SCHEMBL5223474 0.83 GRM5 (0.74) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4194639 0.83 GRM5 (0.74) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL30079793 0.83 GRM5 (1.00) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4186520 0.83 GRM5 (1.00) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4198125 0.81 GRM5 (0.67) GRM5KCNH2S1PR1
SCHEMBL4192844 0.80 GRM5 (0.73) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4181866 0.80 GRM5 (0.69) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4186533 0.80 GRM5 (0.69) GRM5KCNH2S1PR1

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-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885CHRNB2 1624/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885CHRNB2 185/4885

“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.