SCHEMBL5198540

SCHEMBL5198540

Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cn(CCN4CCOCC4)cn3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.39
TGFBR2 P37173 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
GPR55 Q9Y2T6 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
THRB P10828 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
SIK2 Q9H0K1 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
SCHEMBL5198285 0.86 TGFBR1 (0.48) TGFBR1TGFBR2MAP3K20MAPK14THRB
SCHEMBL5198175 0.85 BMPR1A (0.45) TGFBR1CNR1CNR2GPR55
SCHEMBL5199554 0.84 TGFBR1 (0.39) TGFBR1TGFBR2MAPK14KDM5AKDM5B
SCHEMBL5201329 0.84 TGFBR1 (0.36) TGFBR1TGFBR2MAP3K20MAPK14MAPK13
SCHEMBL5200014 0.84 TGFBR1 (0.53) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL5199820 0.84 TGFBR1 (0.42) TGFBR1TGFBR2MAPK14THRB
SCHEMBL5199757 0.83 JAK2 (0.42) TGFBR1CNR1CNR2JAK2JAK1
SCHEMBL5200249 0.83 CNR1 (0.41) TGFBR1MAPK14CNR1CNR2JAK2
SCHEMBL5198265 0.81 TGFBR1 (0.39) TGFBR1TGFBR2MAP3K20MAPK14MAPK13
SCHEMBL5200213 0.80 BRD9 (0.38) TGFBR1JAK2JAK1TYK2JAK3

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 2 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 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 40/4885TGFBR2 51/4885MAP3K20 3964/4885

“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.