SCHEMBL13384752

SCHEMBL13384752

Cc1ccc(Nc2cc(Br)ccc2C#N)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.39
AR P10275 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.36
EGFR P00533 5/20 0.36
ERBB2 P04626 3/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL26546116 0.79 ABCG2 (0.48) ARABCG2EGFRERBB2BACE2
SCHEMBL290322 0.78 TSHR (0.48) TSHRMAOAMAOBDRD4
SCHEMBL29825887 0.78 TSHR (0.48) TSHRMAOAMAOBDRD4
SCHEMBL26125756 0.78 KDM4E (0.54) EGFRERBB2TSHRMAOAMAOB
SCHEMBL27561674 0.76 AR (0.36) LRRK2ARABCG2EGFRERBB2
SCHEMBL26128386 0.75 AKR1C3 (0.52) TSHR
SCHEMBL30294516 0.74 ALDH1A1 (0.44) LRRK2MAOAMAOB
SCHEMBL22852826 0.74 ALDH1A1 (0.44) LRRK2MAOAMAOB
SCHEMBL2692061 0.73 MAOB (0.42) EGFRERBB2TSHRMAOAMAOB
SCHEMBL13384748 0.72 BCL6 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 US disclosed
US-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 US disclosed
WO-2008037784-A1 QUINOLINONE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-03 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-20100087649-A1 QUINOLINONE DERIVATIVES CHRM1, CYP2C8, CCR8 LRRK2 1409/4885AR 427/4885ABCG2 344/4885

“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.