SCHEMBL6467546

SCHEMBL6467546

NC(=O)Nc1cn(-c2ccc(SC3CCCC3)cc2)nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.38
IRAK4 Q9NWZ3 9/20 0.37
PARP1 P09874 3/20 0.34
ALOX5 P09917 3/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 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
SCHEMBL6468686 0.99 ITK (0.38) ITKIRAK4PARP1ALOX5ALOX5AP
SCHEMBL6470131 0.79 ITK (0.41) ITKIRAK4ALDH1A1GAAMAPT
SCHEMBL6506662 0.79 IRAK4 (0.40) ITKIRAK4CYP2C9
SCHEMBL6468116 0.78 NAMPT (0.39) ITKIRAK4CYP2C9
SCHEMBL6505157 0.78 ITK (0.37) ITKIRAK4PARP1ALOX5ALOX5AP
SCHEMBL6498279 0.78 ALDH1A1 (0.47) ITKIRAK4PARP1ALDH1A1GAA
SCHEMBL6470394 0.78 IRAK4 (0.42) ITKIRAK4PARP1ALDH1A1GAA
SCHEMBL6497725 0.78 KDM4E (0.43) ITKIRAK4ALDH1A1GAAMAPT
SCHEMBL6470631 0.78 KDM4E (0.42) ITKIRAK4PARP1ALDH1A1GAA
SCHEMBL6468694 0.77 ITK (0.37) ITKIRAK4PARP1ALOX5ALOX5AP

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 ITK 4236/4885IRAK4 27/4885PARP1 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.