SCHEMBL4101340

SCHEMBL4101340

CC(C)(C)c1nc(-c2cccnc2)c(-c2ccnc(F)c2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.52
MAPK14 Q16539 7/20 0.51
ADORA2B P29275 2/20 0.48
NQO2 P16083 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
TGFBR1 P36897 1/20 0.42
MTOR P42345 1/20 0.42
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MAPT P10636 1/20 0.38
NPY5R Q15761 2/20 0.38

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
SCHEMBL4090706 0.81 ADORA2B (0.57) BRAFMAPK14ADORA2BNQO2ADORA2A
SCHEMBL4098251 0.80 BRAF (0.47) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4096709 0.78 MAPK14 (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL13741474 0.75 ADORA2B (0.51) BRAFMAPK14ADORA2BNQO2ADORA2A
SCHEMBL11816164 0.73 MAPK13 (0.51) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL30066479 0.73 CYP2A6 (0.58) ADORA2BNQO2ADORA2APDE2APDE10A
SCHEMBL4097979 0.72 ADORA2B (0.47) MAPK14ADORA2BNQO2ADORA2AMAPK13
SCHEMBL14953529 0.71 NPY5R (0.48) BRAFNPY5R
SCHEMBL6725536 0.69 PTGS2 (0.42) BRAFMAPK14NPY5R
SCHEMBL4114563 0.69 BRAF (1.00) 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 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 BRAF 161/4885MAPK14 136/4885ADORA2B 4778/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 BRAF 161/4885MAPK14 136/4885ADORA2B 4778/4885

“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.