SCHEMBL7116170

SCHEMBL7116170

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3ccc(C(C)(C)C)cc3)C(=O)CN3CCC(Nc4ccccn4)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.37
ITK Q08881 3/20 0.36
CCR6 P51684 1/20 0.36
GLP1R P43220 1/20 0.35
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKCG P05129 1/20 0.35
PHKG2 P15735 1/20 0.35
MARK3 P27448 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
NEK4 P51957 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MAP4K2 Q12851 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
SCHEMBL7118131 0.89 F2 (0.46) F2
SCHEMBL7120120 0.83 F2 (0.51) F2HDAC1
SCHEMBL7121489 0.82 F2 (0.48) F2
SCHEMBL7223673 0.80 F2 (0.39) KCNH2TAOK1F2HDAC1NOS2
SCHEMBL7117041 0.80 KCNH2 (0.41) KCNH2ITKGLP1RF2HDAC1
SCHEMBL7227739 0.80 ALDH1A1 (0.39) F2HDAC1NPC1RAB9A
SCHEMBL7119763 0.80 F2 (0.46) F2HDAC1
SCHEMBL7114656 0.79 HDAC1 (0.40) ITKAURKAMAP4K4CHEK2PRKCG
SCHEMBL7120809 0.78 F2 (0.47) F2
SCHEMBL7122683 0.77 F2 (0.44) F2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 KCNH2 1446/4885ITK 1616/4885CCR6 2495/4885

“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.