SCHEMBL6575979

SCHEMBL6575979

CCSc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
CDC7 O00311 6/20 0.44
DBF4 Q9UBU7 6/20 0.44
MAPK14 Q16539 1/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL6501969 0.88 PTGS2 (0.62) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6505966 0.86 PTGS2 (0.50) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6286370 0.81 MEN1 (0.50) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6286367 0.80 PTGS2 (0.48) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL15690382 0.79 PTGS2 (0.50) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6600796 0.78 PTGS2 (0.49) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6503233 0.77 PTGS2 (0.78) PTGS2MAPK14
SCHEMBL6279375 0.77 PTGS2 (0.54) PTGS2CDC7DBF4MAPK14CCNE1
SCHEMBL6280962 0.77 PTGS2 (0.48) PTGS2CDC7DBF4MAPK14ALOX5
SCHEMBL6502554 0.77 PTGS2 (0.51) PTGS2CDC7DBF4MAPK14ALOX5

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-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PTGS2 109/4885CDC7 1288/4885DBF4 2943/4885

“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.