SCHEMBL6506589

SCHEMBL6506589

NC(=O)c1nn(-c2ccc(I)cc2F)c(C(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.36
MAP2K2 P36507 9/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
SCHEMBL6468087 0.86 MAP2K1 (0.38) MAP2K1MAP2K2ALDH1A1L3MBTL1
SCHEMBL6470420 0.85 KDM4E (0.36) ALDH1A1L3MBTL1KMT2AIDO1DYRK1A
SCHEMBL6469734 0.79 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL6506448 0.73 MAP2K1 (0.40) MAP2K1MAP2K2ALDH1A1
Potassium SCHEMBL6498895 0.72 RIPK1 (0.45) ALDH1A1KMT2AIDO1
SCHEMBL6470262 0.72 KMT2A (0.36) ALDH1A1KMT2ADYRK1A
SCHEMBL6500566 0.71 KDM4E (0.52) ALDH1A1KMT2A
SCHEMBL6470354 0.70 CA1 (0.48) ALDH1A1KMT2ADYRK1A
SCHEMBL6470586 0.70 RPA1 (0.39) ALDH1A1L3MBTL1KMT2ADYRK1A
SCHEMBL13557943 0.68 MAP2K1 (0.42) MAP2K1MAP2K2

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 MAP2K1 4663/4885MAP2K2 4197/4885ALDH1A1 846/4885

“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.