SCHEMBL6470586

SCHEMBL6470586

NC(=O)c1nn(-c2ccc(I)c(Cl)c2)c(C(=O)O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.39
GAA P10253 1/20 0.38
STAT1 P42224 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL6470354 0.85 CA1 (0.48) GAASTAT1ALDH1A1KMT2ACA1
SCHEMBL6470262 0.75 KMT2A (0.36) GAAALDH1A1KMT2ACA1CA2
SCHEMBL6469734 0.71 ALDH1A1 (0.43) RPA1GAAALDH1A1KMT2AKDM4E
SCHEMBL6500282 0.71 ALDH1A1 (0.58) ALDH1A1CA1CA2KDM4EHPGD
SCHEMBL6506589 0.70 MAP2K1 (0.36) ALDH1A1KMT2AL3MBTL1DYRK1A
SCHEMBL6470420 0.70 KDM4E (0.36) STAT1ALDH1A1KMT2ACA1CA2
Potassium SCHEMBL6498895 0.70 RIPK1 (0.45) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL6470677 0.70 HSD17B10 (0.43) GAAALDH1A1KMT2ACA1CA2
SCHEMBL6470449 0.67 ITK (0.42) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL31597739 0.64 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EHPGDHSD17B10

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 RPA1 2786/4885GAA 3532/4885STAT1 196/4885

“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.