SCHEMBL6470700

SCHEMBL6470700

NC(=O)Nc1c[nH]nc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
SYK P43405 1/20 0.32
PEPD P12955 1/20 0.31
ITK Q08881 1/20 0.31
CCNE2 O96020 3/20 0.31
CCNE1 P24864 3/20 0.31
CDK2 P24941 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL10751370 0.85 KCNMA1 (0.31) SYK
SCHEMBL18055895 0.81 HTT (0.37) ALDH1A1
SCHEMBL8226019 0.76 CFD (0.51) IKBKBGAAKDM4EALDH1A1
SCHEMBL8219373 0.75 MEN1 (0.48) MAPTSYKCDK2ALDH1A1
SCHEMBL8261624 0.75 CDK14 (0.50) CYP3A4CCNE1CDK2CDK4CCND1
SCHEMBL2591837 0.74
SCHEMBL8262291 0.73 F2 (0.39) CDK2NPC1
SCHEMBL19322853 0.73 HDAC1 (0.56) MAPTALDH1A1
SCHEMBL13735546 0.73 IDO1 (0.33)
SCHEMBL956225 0.71

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 IKBKB 664/4885CYP1A2 103/4885GAA 3532/4885

“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.