SCHEMBL4098251

SCHEMBL4098251

CC(C)(C)c1nc(-c2ccccn2)c(-c2ccnc(F)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
MAPK14 Q16539 10/20 0.47
TGFBR1 P36897 3/20 0.45
MTOR P42345 1/20 0.45
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
RIPK2 O43353 1/20 0.39
ACVR1B P36896 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
CBFB Q13951 1/20 0.38
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL6759961 0.83 BRAF (0.48) BRAFTGFBR1MTORMETAP2KDM4E
SCHEMBL4101340 0.80 BRAF (0.52) BRAFMAPK14TGFBR1MTORMAPK13
SCHEMBL4101328 0.79 TGFBR1 (0.41) BRAFMAPK14TGFBR1MTORMAPK13
SCHEMBL6764691 0.77 TGFBR1 (0.48) BRAFMAPK14TGFBR1MTORMAPK13
SCHEMBL6222973 0.75 TGFBR1 (0.50) BRAFMAPK14TGFBR1MTORRIPK2
SCHEMBL8924110 0.73 ESR1 (0.45) TGFBR1MTORCBFBMETAP2KDM4E
SCHEMBL28155744 0.72 IDO1 (0.51) TGFBR1TDP1MAPTCBFBKDM4E
SCHEMBL6228248 0.71 TGFBR1 (0.56) BRAFMAPK14TGFBR1MTORRIPK2
SCHEMBL4090666 0.71 TGFBR1 (0.36) TGFBR1KDM4ENPC1GRM5
SCHEMBL6757498 0.67 KDM4E (0.49) TGFBR1TDP1MAPTCBFBMETAP2

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 BRAF 161/4885MAPK14 136/4885TGFBR1 1257/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 BRAF 161/4885MAPK14 136/4885TGFBR1 1257/4885

“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.