SCHEMBL4090706

SCHEMBL4090706

Fc1cc(-c2[nH]c(Cl)nc2-c2cccnc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.57
NQO2 P16083 3/20 0.57
ADORA2A P29274 2/20 0.57
BRAF P15056 1/20 0.47
MAPK14 Q16539 6/20 0.46
CYP19A1 P11511 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
NPY5R Q15761 2/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPT P10636 4/20 0.40
MAP4K4 O95819 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 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
SCHEMBL4101340 0.81 BRAF (0.52) ADORA2BNQO2ADORA2ABRAFMAPK14
SCHEMBL4097414 0.81 MAPK14 (0.60) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL13741474 0.77 ADORA2B (0.51) ADORA2BNQO2ADORA2ABRAFMAPK14
SCHEMBL13741481 0.76 CYP19A1 (0.44) BRAFMAPK14CYP19A1MAPK13MAPK12
SCHEMBL30066479 0.75 CYP2A6 (0.58) ADORA2BNQO2ADORA2ACYP19A1MAPT
Trifluoroacetic Acid SCHEMBL4092771 0.71 L3MBTL1 (0.41) BRAFMAPK14CYP19A1MAPK13MAPK12
SCHEMBL13741397 0.70 MAPK13 (0.49) ADORA2ABRAFMAPK14MAPK13MAPK12
SCHEMBL4098176 0.68 ADORA2B (0.49) ADORA2BNQO2ADORA2AMAPK14MAPK13
SCHEMBL15075705 0.67 MAPK14 (0.70) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6168758 0.66 MAPK14 (0.69) BRAFMAPK14MAPK13MAPK12MAPK11

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 ADORA2B 4778/4885NQO2 3554/4885ADORA2A 4577/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ADORA2B 4778/4885NQO2 3554/4885ADORA2A 4577/4885

“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.