SCHEMBL6468668

SCHEMBL6468668

NC(=O)Nc1cn(-c2ccc(-c3cccc(OCc4ccncc4)c3)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
F10 P00742 6/20 0.42
EPHX1 P07099 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC3 O15379 1/20 0.40
PARP1 P09874 1/20 0.40
KDR P35968 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 3/20 0.40
SMPD1 P17405 2/20 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
SCHEMBL6468743 0.90 SMPD1 (0.44) EPHX1GPR132SIRT2SIRT1SMPD1
SCHEMBL6501352 0.87 PARP10 (0.43) ITKGPR132HDAC1MRGPRX4LCK
SCHEMBL6499891 0.85 ITK (0.46) ITK
SCHEMBL6501607 0.85 ITK (0.41) ITKF10HDAC4HDAC3PARP1
SCHEMBL6499288 0.85 PLA2G10 (0.45) ITK
SCHEMBL6500765 0.84 ITK (0.46) ITKLCK
SCHEMBL6505547 0.83 IRAK4 (0.53) ITKHDAC2
SCHEMBL6507219 0.83 ITK (0.44) ITK
SCHEMBL6508966 0.82 ITK (0.45) ITK
SCHEMBL6499042 0.82 KDM4E (0.49) ITKPARP1

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 ITK 4236/4885F10 1972/4885EPHX1 1900/4885

“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.