SCHEMBL6506448

SCHEMBL6506448

NC(=O)c1nn(-c2ccc(I)cc2F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.40
MAP2K2 P36507 11/20 0.40
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.32
KCNH2 Q12809 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
SCHEMBL6506572 0.84 KDM4E (0.33) MAP2K1MAP2K2ALDH1A1
SCHEMBL13557943 0.83 MAP2K1 (0.42) MAP2K1MAP2K2PARP1
SCHEMBL6506589 0.73 MAP2K1 (0.36) MAP2K1MAP2K2ALDH1A1
SCHEMBL10258263 0.73 L3MBTL1 (0.39) MAP2K1MAP2K2PARP1
SCHEMBL13559029 0.71 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL14615218 0.71 MAP2K1 (0.45) MAP2K1MAP2K2PARP1
SCHEMBL13558506 0.70 MAP2K1 (0.40) MAP2K1MAP2K2
SCHEMBL6470190 0.70 PARP1 (0.38) PARP1ALDH1A1
SCHEMBL6500386 0.70 PARP1 (0.45) PARP1
SCHEMBL10266967 0.70 MAP2K1 (0.43) MAP2K1MAP2K2KCNH2

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 4197/4885PARP1 1904/4885

“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.