SCHEMBL6506505

SCHEMBL6506505

NC(=O)Nc1cn(-c2cccc(-c3ccc(C(F)(F)F)cc3)c2)nc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
SCN9A Q15858 4/20 0.48
DHODH Q02127 1/20 0.43
ITK Q08881 1/20 0.43
HDAC2 Q92769 1/20 0.42
GRM5 P41594 1/20 0.41
CYP2C9 P11712 3/20 0.40
SCN5A Q14524 1/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
P2RY14 Q15391 1/20 0.40
CYP2D6 P10635 1/20 0.40
KLKB1 P03952 1/20 0.39

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
SCHEMBL6499365 0.93 KIF11 (0.52) KIF11SCN9AITKCYP2C9SCN5A
SCHEMBL6507525 0.89 KIF11 (0.45) KIF11SCN9ADHODHITKMAPT
SCHEMBL6509074 0.89 KIF11 (0.57) KIF11SCN9AITKCYP3A4MEN1
SCHEMBL6506096 0.88 SCN9A (0.48) SCN9AITKHDAC2MEN1KMT2A
SCHEMBL6497270 0.88 KMT2A (0.50) KIF11SCN9AITKCYP3A4MEN1
SCHEMBL6465740 0.87 IRAK4 (0.46) SCN9AITKCYP2C9CYP3A4MAPT
SCHEMBL6499548 0.87 ITK (0.45) SCN9AITKMEN1KMT2AMAPT
SCHEMBL6501255 0.87 ITK (0.45) SCN9AITKMEN1KMT2AMAPT
SCHEMBL6498355 0.86 KDM4E (0.47) SCN9AITKMEN1KMT2AMAPT
SCHEMBL6501636 0.85 SCN9A (0.45) KIF11SCN9AITKGRM5MEN1

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 KIF11 4732/4885SCN9A 4159/4885DHODH 4400/4885

“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.