SCHEMBL6470394

SCHEMBL6470394

NC(=O)Nc1cn(-c2ccc(Sc3ccncc3)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.42
ITK Q08881 1/20 0.40
PARP1 P09874 2/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAP2K3 P46734 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
SCHEMBL6470131 0.89 ITK (0.41) IRAK4ITKALDH1A1L3MBTL1KDM4E
SCHEMBL6467418 0.89 IRAK4 (0.45) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6498279 0.88 ALDH1A1 (0.47) IRAK4ITKPARP1ALDH1A1KDM4E
SCHEMBL6470631 0.88 KDM4E (0.42) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6469492 0.84 IRAK4 (0.42) IRAK4ITKALDH1A1L3MBTL1KDM4E
SCHEMBL6467925 0.82 MAPT (0.41) IRAK4ITKPARP1ALDH1A1L3MBTL1
SCHEMBL6497944 0.82 ITK (0.45) IRAK4ITKALDH1A1L3MBTL1KDM4E
SCHEMBL6501920 0.82 ITK (0.43) IRAK4ITKHDAC1HDAC2ALDH1A1
SCHEMBL6504781 0.82 ITK (0.43) IRAK4ITKPARP1ALDH1A1KDM4E
SCHEMBL6468649 0.82 ITK (0.43) IRAK4ITKPARP1ALDH1A1L3MBTL1

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 IRAK4 27/4885ITK 4236/4885PARP1 1904/4885

“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.