SCHEMBL6506572

SCHEMBL6506572

Cc1cc(I)ccc1-n1cc(N)c(C(N)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAP2K2 P36507 4/20 0.33
MAP2K1 Q02750 4/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
LMNA P02545 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
PKM P14618 1/20 0.32
ADORA2B P29275 1/20 0.32
KAT2B Q92831 1/20 0.32
ITK Q08881 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ELANE P08246 1/20 0.32
PKMYT1 Q99640 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL6506448 0.84 MAP2K1 (0.40) MAP2K2MAP2K1ALDH1A1
SCHEMBL21069263 0.83 HSD17B10 (0.48) KDM4EHSD17B10ALOX15MEN1KMT2A
SCHEMBL6467613 0.82 ITK (0.49) KDM4EMAP2K2MAP2K1ITK
SCHEMBL6467593 0.76 NPC1 (0.41) KDM4EALDH1A1HSD17B10ALOX15ADORA2A
SCHEMBL13557943 0.75 MAP2K1 (0.42) MAP2K2MAP2K1
SCHEMBL21070453 0.74 GABRP (0.33) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL6470420 0.73 KDM4E (0.36) KDM4EALDH1A1HSD17B10ALOX15ADORA2A
SCHEMBL20022423 0.72 HDAC9 (0.41) KDM4EALDH1A1LMNAHPGD
SCHEMBL6499831 0.71 SMN1; SMN2 (0.38) KDM4EMAP2K2MAP2K1ALDH1A1LMNA
SCHEMBL10258699 0.69 GABRA2 (0.30) GABRA2GABRB2

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 KDM4E 2424/4885MAP2K2 4197/4885MAP2K1 4663/4885

“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.