SCHEMBL5226839

SCHEMBL5226839

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(C(=O)NC4CCN(C)CC4)cc3)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.67
JAK1 P23458 1/20 0.44
ROCK2 O75116 1/20 0.43
DYRK1A Q13627 3/20 0.42
TLR9 Q9NR96 3/20 0.42
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATR Q13535 2/20 0.40
KDR P35968 3/20 0.39
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL5224356 0.93 TGFBR1 (0.58) TGFBR1JAK1ROCK2DYRK1ATLR9
SCHEMBL5229192 0.90 TGFBR1 (0.62) TGFBR1JAK1ROCK2DYRK1ATLR9
SCHEMBL5199606 0.89 TGFBR1 (0.82) TGFBR1ROCK2DYRK1AHDAC4HDAC6
SCHEMBL5200577 0.89 TGFBR1 (0.53) TGFBR1DYRK1A
SCHEMBL5200634 0.87 TGFBR1 (0.54) TGFBR1HDAC6KDR
SCHEMBL5197681 0.83 TGFBR1 (0.46) TGFBR1
SCHEMBL5198378 0.81 TGFBR1 (0.61) TGFBR1
SCHEMBL5199177 0.80 TGFBR1 (0.54) TGFBR1KDR
SCHEMBL6222961 0.80 TGFBR1 (1.00) TGFBR1ROCK2TLR9TLR8TLR7
SCHEMBL5197993 0.79 TGFBR1 (0.77) TGFBR1HDAC4HDAC6KDRCDK2

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-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP claimed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 TGFBR1 40/4885JAK1 1663/4885ROCK2 1213/4885

“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.