SCHEMBL6498355

SCHEMBL6498355

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
ITK Q08881 1/20 0.45
SCN9A Q15858 1/20 0.44
AURKA O14965 5/20 0.43
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
PARP3 Q9Y6F1 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
CNR1 P21554 2/20 0.41
PTGES O14684 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL6499924 0.92 IKBKB (0.48) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6508463 0.91 ITK (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6501255 0.90 ITK (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6499548 0.90 ITK (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6497902 0.89 SCN9A (0.43) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6506096 0.89 SCN9A (0.48) KDM4EALDH1A1LMNAMAPTITK
SCHEMBL6501596 0.89 IKBKB (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6507603 0.88 ITK (0.49) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6501636 0.88 SCN9A (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6467910 0.88 ITK (0.44) KDM4EALDH1A1LMNAMAPTITK

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 2424/4885ALDH1A1 846/4885LMNA 1826/4885

“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.