SCHEMBL6506908

SCHEMBL6506908

NC(=O)Nc1cn(-c2ccc(Sc3ccc(F)cc3)cc2Cl)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
NR3C2 P08235 2/20 0.38
POLB P06746 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CHEK2 O96017 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6500202 0.89 ITK (0.43) ITKNR3C2IRAK4NPSR1MAPT
SCHEMBL6470399 0.88 ITK (0.44) ITKNR3C2IRAK4NPSR1MAPT
SCHEMBL6470631 0.83 KDM4E (0.42) ITKNR3C2POLBIRAK4MAPT
SCHEMBL6506387 0.82 ITK (0.41) ITKNR3C2POLBIRAK4NPSR1
SCHEMBL6465878 0.82 ITK (0.37) ITKNR3C2IRAK4MAPTKDM4E
SCHEMBL6468684 0.80 ITK (0.47) ITKPOLBIRAK4KDM4EALDH1A1
SCHEMBL6468649 0.78 ITK (0.43) ITKNR3C2POLBIRAK4NPSR1
SCHEMBL6465915 0.77 ITK (0.44) ITKNR3C2IRAK4KDM4EMAPK14
SCHEMBL6498279 0.77 ALDH1A1 (0.47) ITKNR3C2IRAK4NPSR1MAPT
SCHEMBL6504781 0.76 ITK (0.43) ITKNR3C2POLBIRAK4MAPT

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 4236/4885NR3C2 583/4885POLB 2941/4885

“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.