SCHEMBL408704

SCHEMBL408704

Cc1cccc(-c2nn[nH]c2-c2ccnc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.69
KDR P35968 5/20 0.64
MAPK14 Q16539 2/20 0.58
MAPKAPK2 P49137 3/20 0.42
ATR Q13535 1/20 0.41
LRRK2 Q5S007 2/20 0.41
DYRK1B Q9Y463 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL5907455 0.84 TGFBR1 (0.67) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL5907453 0.82 TGFBR1 (0.69) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL6222961 0.82 TGFBR1 (1.00) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL6264300 0.82 TGFBR1 (0.78) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL5956369 0.81 TGFBR1 (0.64) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL5956423 0.80 TGFBR1 (0.66) TGFBR1KDRMAPK14MAPKAPK2ATR
SCHEMBL5787523 0.79 TGFBR1 (0.69) TGFBR1KDRMAPK14ATR
SCHEMBL20074398 0.78 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074474 0.78 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074390 0.78 TGFBR1 (1.00) TGFBR1KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway GELLIBERT FRANCOISE J 2006-04-06 US claimed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway GELLIBERT FRANCOISE J 2006-04-06 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-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885KDR 141/4885MAPK14 164/4885

“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.