SCHEMBL5200634

SCHEMBL5200634

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(C(=O)NN4CCN(C)CC4)cc3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39
GRM5 P41594 2/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK14 Q16539 2/20 0.36
RIPK2 O43353 1/20 0.36
KDR P35968 1/20 0.36
ACVR1B P36896 1/20 0.36

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
SCHEMBL5198378 0.91 TGFBR1 (0.61) TGFBR1SMN1; SMN2CYP2D6ADORA2AMAPK14
SCHEMBL5222935 0.90 TGFBR1 (0.51) TGFBR1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL5226839 0.87 TGFBR1 (0.67) TGFBR1HDAC6KDR
SCHEMBL5198164 0.82 TSHR (0.47) TGFBR1SMN1; SMN2SRCADORA2AMAPK14
SCHEMBL5199177 0.82 TGFBR1 (0.54) TGFBR1SMN1; SMN2MAPK14RIPK2KDR
SCHEMBL5197598 0.81 TGFBR1 (0.57) TGFBR1SMN1; SMN2CYP2D6ADORA2AMAPK14
SCHEMBL5199410 0.80 POLB (0.47) TGFBR1HPGDGRM5ALDH1A1
SCHEMBL5224356 0.80 TGFBR1 (0.58) TGFBR1HDAC6KDR
SCHEMBL5200190 0.80 TGFBR1 (0.42) TGFBR1KDR
SCHEMBL5197656 0.79 TGFBR1 (0.52) TGFBR1SMN1; SMN2NPC1RAB9AMAPK14

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 40/4885SMN1; SMN2 3891/4885NPC1 4055/4885

“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.