SCHEMBL6506313

SCHEMBL6506313

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
IRAK4 Q9NWZ3 6/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
DDT P30046 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F10 P00742 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6468749 0.89 ITK (0.44) ITKKMT2AMEN1POLBTDP1
SCHEMBL6467605 0.85 ITK (0.44) ITKKMT2AMEN1POLBTDP1
SCHEMBL6502246 0.85 ITK (0.44) ITKALDH1A1NPC1CA1CA2
SCHEMBL6470449 0.83 ITK (0.42) ITKKMT2AMEN1POLBTDP1
SCHEMBL6500141 0.83 ITK (0.44) ITKPOLBALDH1A1NPC1CA1
SCHEMBL6468677 0.82 MEN1 (0.47) ITKKMT2AMEN1POLBTDP1
SCHEMBL6499099 0.82 ITK (0.42) ITKKMT2AMEN1POLBALDH1A1
SCHEMBL6469794 0.82 LMNA (0.47) ITKKMT2AMEN1POLBTDP1
SCHEMBL6465833 0.82 ALDH1A1 (0.53) ITKKMT2AMEN1POLBALDH1A1
SCHEMBL6468202 0.81 ITK (0.43) ITKKMT2AMEN1POLBALDH1A1

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 ITK 4236/4885KMT2A 3219/4885MEN1 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.