SCHEMBL6294026

SCHEMBL6294026

CCOC(=O)c1c(-c2ccncc2)c2n(c1-c1ccc(F)cc1)CCS2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.46
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
PRKCZ Q05513 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GCGR P47871 1/20 0.41
ALOX5 P09917 1/20 0.41
GRM6 O15303 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL6294505 0.92 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11PRKCZ
SCHEMBL7009324 0.84 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL6294493 0.83 KMT2A (0.51) MAPK14PRKCZKDM4ETDP1ALDH1A1
SCHEMBL6290050 0.83 KMT2A (0.51) MAPK14PRKCZKDM4ETDP1ALDH1A1
SCHEMBL7009071 0.82 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL6294490 0.82 KMT2A (0.47) MAPK14PRKCZALOX15TDP1ALDH1A1
SCHEMBL6291300 0.79 KMT2A (0.51) MAPK14PRKCZKDM4ETDP1ALDH1A1
SCHEMBL6291391 0.79 KMT2A (0.51) MAPK14PRKCZKDM4ETDP1ALDH1A1
SCHEMBL6290028 0.78 KMT2A (0.47) MAPK14PRKCZALOX15TDP1ALDH1A1
SCHEMBL6290801 0.78 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11HPGD

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-6867211-B2 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2005-03-15 US disclosed
US-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2003-08-14 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-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy IL4, IL2, IL5 MAPK14 2214/4885MAPK13 1822/4885MAPK12 2620/4885

“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.