SCHEMBL6467992

SCHEMBL6467992

NC(=O)Nc1cn(-c2ccc([S+]([O-])c3ccc(F)cc3)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ITK Q08881 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6466381 0.90 ITK (0.42) KDM4EMAPTCA1CA2CA9
SCHEMBL6467527 0.90 KDM4E (0.47) KDM4EMAPTCA1CA2CA9
SCHEMBL6507678 0.88 IRAK4 (0.41) KDM4EMAPTALDH1A1L3MBTL1ITK
SCHEMBL6467313 0.87 ITK (0.41) KDM4EMAPTCA1CA2CA9
SCHEMBL6504415 0.87 KDM4E (0.50) KDM4EMAPTCA1CA2CA9
SCHEMBL6468270 0.85 CA9 (0.48) KDM4EMAPTCA1CA2CA9
SCHEMBL6470631 0.83 KDM4E (0.42) KDM4EMAPTCA1CA2CA9
SCHEMBL6499383 0.83 MAPT (0.39) KDM4EMAPTCA1CA2CA9
SCHEMBL6500553 0.82 IRAK4 (0.41) KDM4EMAPTCA1CA2CA9
SCHEMBL6505157 0.79 ITK (0.37) KDM4EMAPTALDH1A1KMT2AL3MBTL1

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 KDM4E 2424/4885MAPT 1906/4885CA1 3159/4885

“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.