SCHEMBL6467554

SCHEMBL6467554

COc1ccc(Cc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ITK Q08881 1/20 0.46
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
APP P05067 1/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6499825 0.88 KMT2A (0.51) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6500313 0.86 ITK (0.47) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6507806 0.82 SCN9A (0.57) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6497796 0.82 SCN9A (0.46) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6506967 0.81 PDE4D (0.51) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6497552 0.80 IRAK4 (0.54) KMT2AITKMEN1RAB9AALDH1A1
SCHEMBL6468677 0.80 MEN1 (0.47) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6508745 0.79 ITK (0.52) KMT2AITKMEN1NPC1RAB9A
SCHEMBL6467910 0.79 ITK (0.44) ITKNPC1RAB9APARP1ALDH1A1
SCHEMBL6506576 0.79 LMNA (0.46) ITKPARP1ALDH1A1LMNA

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 3219/4885ITK 4236/4885MEN1 4599/4885

“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.