SCHEMBL3106443

SCHEMBL3106443

Cn1c(Nc2cc(C#N)ccc2Cl)nc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.47
CHEK2 O96017 3/20 0.47
PRKCG P05129 3/20 0.47
CSNK1D P48730 3/20 0.47
RPS6KA3 P51812 3/20 0.47
DYRK1A Q13627 3/20 0.47
AURKB Q96GD4 3/20 0.47
IRAK4 Q9NWZ3 3/20 0.47
MAP4K4 O95819 2/20 0.47
PHKG2 P15735 2/20 0.47
MARK3 P27448 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CLK2 P49760 2/20 0.47
IRAK1 P51617 2/20 0.47
NEK4 P51957 2/20 0.47
CSNK1G2 P78368 2/20 0.47
MAP4K2 Q12851 2/20 0.47
PRKAA1 Q13131 2/20 0.47
CAMK2G Q13555 2/20 0.47
PKN2 Q16513 2/20 0.47

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
SCHEMBL3101603 0.86 PTGES (0.48) PTGESPRSS12
SCHEMBL3106626 0.84 PTGES (0.52) PTGESPRSS12
SCHEMBL3111197 0.82 PTGES (0.54) PTGESPRSS12
SCHEMBL11961899 0.82 PTGES (0.48) PTGESPRSS12
SCHEMBL1969435 0.81 PTGES (0.48) PTGES
SCHEMBL3109449 0.81 PTGES (0.54) NAMPTPTGESPRSS12
SCHEMBL3100803 0.81 PTGES (0.54) NAMPTPTGESPRSS12
SCHEMBL3100762 0.81 PTGES (0.46) ITKPTGESPRSS12
SCHEMBL11961904 0.81 PTGES (0.47) PTGESPRSS12
SCHEMBL11961905 0.80 PTGES (0.52) PTGESF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885CHEK2 4762/4885PRKCG 2829/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885CHEK2 4762/4885PRKCG 2829/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885CHEK2 4762/4885PRKCG 2829/4885

“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.