SCHEMBL6477607

SCHEMBL6477607

NC(=O)Nc1cn(-c2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)c(F)c3)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
PARP1 P09874 3/20 0.42
MAPK1 P28482 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MET P08581 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
SCHEMBL6467657 0.94 KMT2A (0.44) PARP1MAPK1KMT2AALDH1A1
SCHEMBL6470160 0.91 HDAC1 (0.43) HDAC1PARP1MAPK1MAPTKMT2A
SCHEMBL6470445 0.91 CDC7 (0.46) HDAC1MAPK1MAPTKMT2AMET
SCHEMBL6467963 0.88 LMNA (0.42) PARP1MAPK1MAPTKMT2AMEN1
SCHEMBL6470232 0.86 ALOX5AP (0.41) PARP1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL6467560 0.85 ROCK1 (0.46) MAPTKDM4EKMT2AALDH1A1
SCHEMBL6498191 0.85 KDM4E (0.41) PARP1MAPTKDM4EKMT2AMEN1
SCHEMBL6504428 0.85 PDE10A (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6504083 0.85 AXL (0.41) PARP1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL6467616 0.85 KIF11 (0.43) PARP1MAPK1SMN1; SMN2MAPTKDM4E

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 HDAC1 462/4885PARP1 1904/4885MAPK1 1770/4885

“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.