SCHEMBL6501596

SCHEMBL6501596

NC(=O)Nc1cn(-c2ccc(-c3cccc(Cl)c3)cc2)nc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
ITK Q08881 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
PLAU P00749 1/20 0.42
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42

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
SCHEMBL6499924 0.92 IKBKB (0.48) IKBKBITKKMT2AMEN1POLB
SCHEMBL6499042 0.91 KDM4E (0.49) IKBKBITKKMT2AMEN1POLB
SCHEMBL6498355 0.89 KDM4E (0.47) IKBKBITKKMT2AMEN1ALDH1A1
SCHEMBL6497388 0.88 KDM4E (0.53) IKBKBITKKMT2AMEN1POLB
SCHEMBL6498765 0.87 MAPT (0.46) IKBKBITKPOLBALDH1A1KDM4E
SCHEMBL6508463 0.86 ITK (0.45) IKBKBITKKMT2AMEN1POLB
SCHEMBL6508388 0.86 ITK (0.47) ITKKMT2AMEN1POLBALDH1A1
SCHEMBL6504832 0.85 GRIN2B (0.41) ITKKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6472225 0.85 KMO (0.46) ITKKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6469857 0.84 ITK (0.43) IKBKBITKPOLBALDH1A1KDM4E

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 IKBKB 664/4885ITK 4236/4885KMT2A 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.