SCHEMBL7115133

SCHEMBL7115133

CN(C(=O)CCc1ccc(C#N)cc1)c1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.47
AURKA O14965 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
PHKG2 P15735 1/20 0.45
MARK3 P27448 1/20 0.45
FLT3 P36888 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
RPS6KA3 P51812 1/20 0.45
NEK4 P51957 1/20 0.45
CSNK1G2 P78368 1/20 0.45
MAP4K2 Q12851 1/20 0.45
PRKAA1 Q13131 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45

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
SCHEMBL7123442 0.91 HDAC1 (0.46) ITKAURKAMAP4K4CHEK2PRKCG
SCHEMBL7457673 0.87 F2 (0.42) ITKAURKAMAP4K4CHEK2PRKCG
Hydrochloric Acid SCHEMBL6159121 0.82 F2 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6486632 0.79 F2 (0.50) ITKHDAC1HDAC8HDAC6F2
SCHEMBL7249869 0.78 F2 (0.49) ITKAURKAMAP4K4CHEK2PRKCG
Hydrochloric Acid SCHEMBL7244675 0.78 F2 (0.49) ITKHDAC1HDAC8HDAC6F2
SCHEMBL7244672 0.78 F2 (0.47) ITKHDAC1HDAC8HDAC6F2
SCHEMBL7247840 0.78 NSD2 (0.52) ITKAURKAMAP4K4CHEK2PRKCG
SCHEMBL6637141 0.77 F2 (0.43) ITKAURKAMAP4K4CHEK2PRKCG
SCHEMBL7117035 0.77 ITK (0.44) ITKAURKAMAP4K4CHEK2PRKCG

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-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
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 ITK 1616/4885AURKA 1492/4885MAP4K4 2059/4885

“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.