SCHEMBL6470449

SCHEMBL6470449

NC(=O)Nc1cn(-c2ccc(I)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
IRAK4 Q9NWZ3 13/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F10 P00742 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 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
SCHEMBL6468749 0.89 ITK (0.44) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6467605 0.85 ITK (0.44) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6506313 0.83 ITK (0.44) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6468677 0.82 MEN1 (0.47) ITKKMT2AMEN1POLBTDP1
SCHEMBL6466511 0.82 ITK (0.44) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6465833 0.82 ALDH1A1 (0.53) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6465906 0.81 ITK (0.41) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6499994 0.81 ITK (0.39) ITKIRAK4KMT2AKDM4EALDH1A1
SCHEMBL6470657 0.80 ITK (0.48) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6468684 0.79 ITK (0.47) ITKIRAK4KMT2AMEN1POLB

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 27/4885KMT2A 3219/4885

“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.