SCHEMBL6468087

SCHEMBL6468087

CCC(=O)c1c(N)c(C(N)=O)nn1-c1ccc(I)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.38
MAP2K2 P36507 7/20 0.38
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 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
SCHEMBL6506589 0.86 MAP2K1 (0.36) MAP2K1MAP2K2ALDH1A1L3MBTL1
SCHEMBL6500566 0.74 KDM4E (0.52) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6470420 0.74 KDM4E (0.36) MAPTALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL6506448 0.69 MAP2K1 (0.40) MAP2K1MAP2K2ALDH1A1
SCHEMBL13557943 0.67 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL6469895 0.67 ALDH1A1 (0.51) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6469734 0.65 ALDH1A1 (0.43) ALDH1A1GAAKDM4E
SCHEMBL6533325 0.65 KDM4E (0.41) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1350856 0.64 HSP90AB1 (0.46) MAP2K1MAP2K2
SCHEMBL6498775 0.62 KDM4E (0.51) MAPTALDH1A1HPGDL3MBTL1KDM4E

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 MAP2K1 4663/4885MAP2K2 4197/4885MAPT 1906/4885

“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.