SCHEMBL4102122

SCHEMBL4102122

OC(c1cccnc1)c1nc(-c2ccc(F)cc2)c(-c2ccnc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.43
PTGS2 P35354 1/20 0.39
MAPK14 Q16539 6/20 0.39
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ERBB2 P04626 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CYP17A1 P05093 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ADORA2B P29275 2/20 0.37
NQO2 P16083 1/20 0.37
ADORA2A P29274 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4101760 0.82 PTGDR2 (0.45) PTGDR2PTGS2MAPK14CYP17A1MAPK13
SCHEMBL5205345 0.71 TGFBR1 (0.53) MAPK14EGFRMAPK13MAPK12MAPK11
SCHEMBL2798070 0.68 MAPK14 (0.72) PTGS2MAPK14
SCHEMBL2792366 0.67 PTGDR2 (0.47) PTGDR2PTGS2MAPK14EGFRRAF1
SCHEMBL6420068 0.67 SMN1; SMN2 (0.72) CYP17A1SMN1; SMN2
SCHEMBL2340312 0.66 CYP17A1 (0.44) MAPK14CYP17A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9030540 0.66 SMN1; SMN2 (0.70) CYP17A1SMN1; SMN2
SCHEMBL2335564 0.65 CYP17A1 (0.40) MAPK14CYP17A1SMN1; SMN2
SCHEMBL4092218 0.64 ADORA2B (0.52) PTGS2MAPK14ADORA2BNQO2ADORA2A
SCHEMBL4103384 0.64 ALDH1A1 (0.57) MAPK14ADORA2BADORA2ASMN1; SMN2

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 4 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

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 2625/4885PTGS2 1566/4885MAPK14 136/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 PTGDR2 2625/4885PTGS2 1566/4885MAPK14 136/4885

“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.