SCHEMBL3436731

SCHEMBL3436731

Cc1cccnc1N1CCC(C(=O)Nc2cccnc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 13/20 0.63
TRPV1 Q8NER1 2/20 0.55
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL17339955 0.80 PKM (0.60) KDM4ETP53
SCHEMBL18038519 0.78 GSK3A (0.67)
SCHEMBL238160 0.78 KDM4E (0.60) MALT1TRPV1KDM4EL3MBTL1
SCHEMBL13999569 0.77 ALDH1A1 (0.61) MALT1KDM4E
SCHEMBL3436393 0.76 KDM4E (0.66) MALT1TRPV1KDM4ETP53
SCHEMBL13714900 0.76 MALT1 (1.00) MALT1TRPV1
SCHEMBL3436733 0.76 MALT1 (0.53) MALT1TRPV1KDM4E
SCHEMBL13181866 0.75 LMNA (0.49) MALT1KDM4ETP53
SCHEMBL12320697 0.75 KDM4E (0.49) MALT1KDM4ETP53
SCHEMBL3436717 0.74 MALT1 (0.52) MALT1TRPV1KDM4ETP53

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MALT1 1638/4885TRPV1 3/4885KDM4E 1834/4885

“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.