SCHEMBL6500256

SCHEMBL6500256

CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccccc1OCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.40
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 3/20 0.38
MAPK10 P53779 1/20 0.38
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
SCN9A Q15858 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6470220 0.89 ITK (0.38) ITKKDM4EMEN1KMT2ASCN9A
SCHEMBL6502983 0.88 ITK (0.41) ITKKDM4EALDH1A1TSHRMAPK10
SCHEMBL6500226 0.87 SCN9A (0.41) ITKSCN9AALOX5APFEN1PARP1
SCHEMBL6470268 0.86 ITK (0.42) ITKKDM4EMEN1KMT2ARXFP1
SCHEMBL6498000 0.86 ALOX5AP (0.39) ITKKDM4EMEN1KMT2AALDH1A1
SCHEMBL6507532 0.85 SCN9A (0.52) ITKSCN9AALOX5APFEN1
SCHEMBL6470404 0.84 GPBAR1 (0.37) ITKALDH1A1LMNASCN9AJAK2
SCHEMBL6469640 0.81 ALOX5AP (0.41) ITKKDM4EMEN1KMT2AALDH1A1
SCHEMBL6499437 0.81 ITK (0.40) ITKKDM4EMEN1KMT2AALDH1A1
SCHEMBL6470117 0.80 ALOX5AP (0.39) ITKKDM4EMEN1KMT2AALDH1A1

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 4236/4885KDM4E 2424/4885MEN1 4599/4885

“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.