SCHEMBL6500705

SCHEMBL6500705

NC(=O)Nc1cn(-c2cccc(-c3ccc(C(=O)O)cc3)c2)nc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ITK Q08881 1/20 0.44
POLB P06746 2/20 0.44
SCN9A Q15858 1/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DHODH Q02127 1/20 0.40
ACLY P53396 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL6470464 0.92 KDM4E (0.46) MEN1KMT2ASMN1; SMN2ITKSCN9A
SCHEMBL6504845 0.90 ITK (0.46) SMN1; SMN2ITKSCN9AMAPTLMNA
SCHEMBL6472225 0.89 KMO (0.46) MEN1KMT2ASMN1; SMN2ITKMAPT
SCHEMBL6501255 0.89 ITK (0.45) MEN1KMT2ASMN1; SMN2ITKPOLB
SCHEMBL6499548 0.89 ITK (0.45) MEN1KMT2ASMN1; SMN2ITKPOLB
SCHEMBL6470269 0.88 MAPT (0.44) MEN1KMT2ASMN1; SMN2ITKPOLB
SCHEMBL6504994 0.88 IRAK4 (0.48) SMN1; SMN2ITKSCN9AMAPTLMNA
SCHEMBL6506096 0.88 SCN9A (0.48) MEN1KMT2ASMN1; SMN2ITKSCN9A
SCHEMBL6498355 0.88 KDM4E (0.47) MEN1KMT2AITKSCN9AMAPT
SCHEMBL6467349 0.87 ITK (0.46) SMN1; SMN2ITKSCN9AMAPTLMNA

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 MEN1 4599/4885KMT2A 3219/4885SMN1; SMN2 3519/4885

“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.