SCHEMBL6506408

SCHEMBL6506408

CNC(=O)Nc1cn(-c2ccc(Br)cc2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
RECQL P46063 1/20 0.37
ITK Q08881 1/20 0.37
AURKA O14965 2/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL6510229 0.87 IRAK4 (0.39) HTTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6469788 0.87 KMT2A (0.46) HTTMEN1KMT2ACA12CA9
SCHEMBL6468154 0.85 SMN1; SMN2 (0.50) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6500414 0.85 MAPKAPK2 (0.45) HTTALDH1A1SMN1; SMN2KDM4EIRAK4
SCHEMBL6499185 0.80 ALDH1A1 (0.37) HTTMEN1KMT2ACA1CA2
SCHEMBL6469794 0.76 LMNA (0.47) HTTMEN1KMT2ACA12CA9
SCHEMBL6470229 0.75 CA9 (0.47) HTTMEN1KMT2ACA12CA9
SCHEMBL6505259 0.74 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4EIRAK4ITK
SCHEMBL6466511 0.73 ITK (0.44) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6465833 0.73 ALDH1A1 (0.53) MEN1KMT2ACA12CA9CA1

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 HTT 4097/4885MEN1 4599/4885KMT2A 3219/4885

“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.