SCHEMBL6500601

SCHEMBL6500601

NC(=O)Nc1cn(-c2ccc(OC(F)(F)F)cc2)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.47
SCN9A Q15858 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
CHEK1 O14757 1/20 0.42
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6469868 0.86 IRAK4 (0.54) ITKSCN9AIRAK4CHEK1TP53
Trifluoroacetic Acid SCHEMBL6466204 0.85 ITK (0.47) ITKL3MBTL1MAPTNPC1ALDH1A1
SCHEMBL6467527 0.82 KDM4E (0.47) ITKIRAK4TP53SMN1; SMN2L3MBTL1
SCHEMBL6504903 0.81 KMT2A (0.49) SMN1; SMN2EPHX2L3MBTL1KDM4EALDH1A1
SCHEMBL6500092 0.80 KDM4E (0.47) ITKTP53SMN1; SMN2L3MBTL1MAPT
SCHEMBL6465833 0.79 ALDH1A1 (0.53) ITKIRAK4L3MBTL1MAPTKDM4E
SCHEMBL6466511 0.79 ITK (0.44) ITKIRAK4TP53SMN1; SMN2L3MBTL1
SCHEMBL6469788 0.79 KMT2A (0.46) ITKIRAK4SMN1; SMN2L3MBTL1MAPT
SCHEMBL6469794 0.79 LMNA (0.47) ITKSMN1; SMN2CDK8KDM4ENPC1
SCHEMBL6506767 0.79 ITK (0.48) ITKTP53SMN1; SMN2MAPTKDM4E

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 1 patent. 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

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 ITK 4236/4885SCN9A 4159/4885IRAK4 27/4885

“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.