SCHEMBL6503754

SCHEMBL6503754

NC(=O)Nc1cn(-c2ccc(-c3ccc(F)cc3F)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ITK Q08881 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
TGFBR1 P36897 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 2/20 0.38
HDAC2 Q92769 2/20 0.37
SCN9A Q15858 1/20 0.37
ATM Q13315 1/20 0.36
KIF5C O60282 1/20 0.36
KIF5A Q12840 1/20 0.36

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
SCHEMBL6470351 0.91 KDM4E (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6500174 0.89 ITK (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6467401 0.88 KDM4E (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6499580 0.88 ITK (0.39) KDM4EMAPTALDH1A1ITKKIF11
SCHEMBL6505377 0.87 MAPT (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6504415 0.87 KDM4E (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6506078 0.86 ITK (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6467527 0.86 KDM4E (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6469640 0.84 ALOX5AP (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6499913 0.84 LRRK2 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A

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 KDM4E 2424/4885MAPT 1906/4885ALDH1A1 846/4885

“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.