SCHEMBL6466511

SCHEMBL6466511

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
IRAK4 Q9NWZ3 7/20 0.42
KDM4E B2RXH2 7/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL6510229 0.87 IRAK4 (0.39) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6465833 0.86 ALDH1A1 (0.53) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6467527 0.86 KDM4E (0.47) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6469794 0.86 LMNA (0.47) ITKKDM4ELMNAALDH1A1POLB
SCHEMBL6469788 0.86 KMT2A (0.46) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6497388 0.84 KDM4E (0.53) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6470657 0.84 ITK (0.48) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6498693 0.83 KDM4E (0.46) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6508186 0.83 ITK (0.43) ITKIRAK4KDM4EMAPTLMNA
SCHEMBL6507198 0.83 MAP4K4 (0.47) ITKIRAK4KDM4EMAPTLMNA

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 27/4885KDM4E 2424/4885

“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.