SCHEMBL5907484

SCHEMBL5907484

COc1ccc(-c2cc(-c3c[nH]nc3-c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.50
MAPK14 Q16539 5/20 0.48
ROS1 P08922 1/20 0.46
KDR P35968 2/20 0.43
RIPK2 O43353 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAPKAPK2 P49137 2/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21375765 0.88 TGFBR1 (0.44) TGFBR1MAPK14KDRRIPK2
SCHEMBL5907474 0.88 TGFBR1 (0.46) TGFBR1MAPK14ROS1KDRRIPK2
SCHEMBL5907522 0.87 MAT2A (0.43) TGFBR1MAPK14KDRRIPK2
SCHEMBL12645997 0.87 TGFBR1 (0.61) TGFBR1MAPK14THRBNPC1RAB9A
Gw679410X SCHEMBL376414 0.86 TGFBR1 (0.63) TGFBR1ROS1DYRK1AMAPKAPK2THRB
SCHEMBL5907483 0.85 TGFBR1 (0.48) TGFBR1MAPK14KDRRIPK2MAPKAPK2
SCHEMBL21932018 0.85 TGFBR1 (0.41) TGFBR1MAPK14KDRRIPK2
SCHEMBL31373673 0.85 TGFBR1 (0.40) TGFBR1MAPK14KDRRIPK2
SCHEMBL29528228 0.85 TGFBR1 (0.41) TGFBR1MAPK14KDRRIPK2
SCHEMBL5907469 0.84 TGFBR1 (0.62) TGFBR1MAPK14KDRRIPK2THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMITHKLINE BEECHAM CORPORATION 2006-03-16 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 (1 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-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 148/4885ROS1 354/4885

“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.