SCHEMBL6467294

SCHEMBL6467294

N#Cc1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
MAPKAPK2 P49137 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ITK Q08881 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC2 Q92769 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL6498515 0.89 ITK (0.43) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6497388 0.86 KDM4E (0.53) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6470172 0.85 ITK (0.38) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6498693 0.85 KDM4E (0.46) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6507198 0.85 MAP4K4 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMAPKAPK2
SCHEMBL6504415 0.84 KDM4E (0.50) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6467418 0.84 IRAK4 (0.45) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6470269 0.82 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6499042 0.81 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6506596 0.81 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTLMNAMAPKAPK2

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 ALDH1A1 846/4885SMN1; SMN2 3519/4885MAPT 1906/4885

“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.