SCHEMBL5478085

SCHEMBL5478085

N#Cc1cncc(-c2nnc3n2CCCN3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 3/20 0.39
P4HTM Q9NXG6 2/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 3/20 0.36
LRRK2 Q5S007 1/20 0.35
NPY5R Q15761 1/20 0.35
CHEK1 O14757 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
SCHEMBL8231072 0.81 PSEN1 (0.41) ROCK2ROCK1CDC42BPBPSEN1PSEN2
SCHEMBL4055978 0.78 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895003 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895845 0.71 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895908 0.69 PSEN1 (0.43) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL2983844 0.68 CYP11B2 (0.61) CYP11B2CYP11B1CHRNB2CHRNB4CHRNA3
SCHEMBL2895214 0.65 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17116680 0.65 CYP11B2 (0.58) CYP11B2CYP11B1CHRNB2CHRNB4CHRNA3
SCHEMBL25680348 0.63 OPRD1 (0.40) CYP11B2CYP11B1
SCHEMBL2980386 0.63 CYP11B2 (0.48) ROCK2ROCK1CDC42BPBCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 ROCK2 2267/4885ROCK1 2596/4885CDC42BPB 1456/4885

“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.