SCHEMBL4101760

SCHEMBL4101760

O=c1cc(-c2sc(C(O)c3cccnc3)nc2-c2ccc(F)cc2)cc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.45
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
PTGS2 P35354 1/20 0.39
CYP17A1 P05093 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL4102122 0.82 PTGDR2 (0.43) PTGDR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL2355694 0.69 CHEK1 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5760429 0.68 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL4103177 0.67 KCNH2 (0.44) PTGDR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL4105910 0.65 KCNH2 (0.49) PTGDR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6420068 0.64 SMN1; SMN2 (0.72) CYP17A1SMN1; SMN2POLBCYP19A1TSHR
SCHEMBL13740515 0.63 NOTUM (0.54) MAPK14PTGS2
SCHEMBL30705779 0.63 GAA (0.46) CYP17A1SMN1; SMN2POLBCYP19A1TSHR
SCHEMBL30494229 0.63 NOTUM (0.61) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL26462950 0.63 NOTUM (0.61) CYP17A1CYP19A1CYP11B1CYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 PTGDR2 2625/4885MAPK13 99/4885MAPK12 111/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 PTGDR2 2625/4885MAPK13 99/4885MAPK12 111/4885

“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.