SCHEMBL5198525

SCHEMBL5198525

Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3ccc(N4CCN(C)CC4)nc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.46
TGFBR1 P36897 3/20 0.41
ACVR1B P36896 1/20 0.41
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
TNKS O95271 3/20 0.40
IL2 P60568 1/20 0.40
MAP4K1 Q92918 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
FYN P06241 2/20 0.39

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
SCHEMBL5199891 0.90 CNR2 (0.49) TDO2TGFBR1MAP4K1ATRBRD4
SCHEMBL5199926 0.85 MAP4K1 (0.42) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL5198228 0.80 TGFBR1 (0.52) TGFBR1MAP4K1
SCHEMBL5220612 0.79 CYP2D6 (0.43) TGFBR1MAP4K1
SCHEMBL5198402 0.79 TGFBR1 (0.43) TGFBR1
SCHEMBL5201354 0.79 TGFBR1 (0.46) TGFBR1
SCHEMBL5198600 0.78 DGAT1 (0.41) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL5200058 0.78 KMT2A (0.40) TGFBR1MAP4K1FYNALK
SCHEMBL5198208 0.78 TGFBR1 (0.43) TGFBR1
SCHEMBL5199431 0.78 TGFBR1 (0.48) TGFBR1

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 TDO2 1082/4885TGFBR1 40/4885ACVR1B 132/4885

“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.