SCHEMBL4096709

SCHEMBL4096709

CC(C)(C)c1nc(-c2cccnc2)c(-c2cc[nH]c(=O)c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
BRAF P15056 2/20 0.43
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.38
NPY5R Q15761 2/20 0.37
CYP19A1 P11511 1/20 0.37
TGFBR1 P36897 1/20 0.36
MTOR P42345 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 1/20 0.36
F2 P00734 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL13741481 0.82 CYP19A1 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5762007 0.80 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4101328 0.79 TGFBR1 (0.41) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4101340 0.78 BRAF (0.52) MAPK14MAPK13MAPK12MAPK11BRAF
Trifluoroacetic Acid SCHEMBL4092771 0.76 L3MBTL1 (0.41) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL30494229 0.75 NOTUM (0.61) KMT2ANOTUMCYP19A1MAPK1PIK3C3
SCHEMBL26462950 0.75 NOTUM (0.61) KMT2ANOTUMCYP19A1MAPK1PIK3C3
SCHEMBL13741720 0.73 CDC7 (0.44) MAPK14MAPTNPY5RCYP19A1
SCHEMBL14953529 0.73 NPY5R (0.48) BRAFNPY5RKIF11
SCHEMBL11816164 0.72 MAPK13 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF

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 MAPK14 136/4885MAPK13 99/4885MAPK12 111/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MAPK14 136/4885MAPK13 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.