SCHEMBL6469788

SCHEMBL6469788

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
ITK Q08881 1/20 0.44
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
AURKA O14965 3/20 0.41
F10 P00742 1/20 0.41
ALDH1A1 P00352 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6506408 0.87 HTT (0.45) KMT2AMEN1HTTITKCA12
SCHEMBL6467527 0.86 KDM4E (0.47) KMT2AMEN1HTTITKCA12
SCHEMBL6466511 0.86 ITK (0.44) KMT2AMEN1HTTITKALDH1A1
SCHEMBL6465833 0.86 ALDH1A1 (0.53) KMT2AMEN1ITKCA12CA9
SCHEMBL6469794 0.86 LMNA (0.47) KMT2AMEN1HTTITKCA12
SCHEMBL6497388 0.84 KDM4E (0.53) KMT2AMEN1HTTITKCA12
SCHEMBL6470432 0.84 SMN1; SMN2 (0.51) KMT2AMEN1HTTITKALDH1A1
SCHEMBL6498693 0.83 KDM4E (0.46) KMT2AMEN1HTTITKCA12
SCHEMBL6508186 0.83 ITK (0.43) KMT2AMEN1HTTITKCA12
SCHEMBL6507198 0.83 MAP4K4 (0.47) ITKALDH1A1IRAK4MAPTGAA

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

“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.