SCHEMBL4101328

SCHEMBL4101328

CC(C)(C)c1nc(-c2ccccn2)c(-c2cc[nH]c(=O)c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
MTOR P42345 1/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NOTUM Q6P988 1/20 0.38
JAK2 O60674 1/20 0.38
BRAF P15056 2/20 0.38
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RIPK2 O43353 1/20 0.35
ACVR1B P36896 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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 0.81 BRAF (0.48) TGFBR1MTORBRAFMETAP2KDM4E
SCHEMBL4096709 0.79 MAPK14 (0.43) TGFBR1MTORMAPK14MAPK13MAPK12
SCHEMBL4098251 0.79 BRAF (0.47) TGFBR1MTORMAPK14MAPK13MAPK12
SCHEMBL5762007 0.77 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL30049713 0.76 NOTUM (0.58) NOTUMKDM4ENPC1TDP1ALDH1A1
SCHEMBL2173850 0.76 NOTUM (0.58) NOTUMKDM4ENPC1TDP1ALDH1A1
SCHEMBL6764691 0.75 TGFBR1 (0.48) TGFBR1MTORMAPK14MAPK13MAPK12
SCHEMBL8924110 0.69 ESR1 (0.45) TGFBR1MTORMETAP2KDM4ENPC1
SCHEMBL13740498 0.67 HPGD (0.64) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6222973 0.67 TGFBR1 (0.50) TGFBR1MTORMAPK14BRAFNPC1

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 TGFBR1 1257/4885MTOR 268/4885MAPK14 136/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 TGFBR1 1257/4885MTOR 268/4885MAPK14 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.