SCHEMBL4049461

SCHEMBL4049461

CCOc1cccc(-c2nc3ncc(-c4ccccc4F)cc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.52
FGFR1 P11362 3/20 0.48
FGFR2 P21802 3/20 0.48
FGFR3 P22607 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 4/20 0.46

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
SCHEMBL4059930 0.92 SCD (0.50) SCDFGFR1FGFR2FGFR3TP53
SCHEMBL4057675 0.91 SCD (0.49) SCDAURKACYP3A4BRAFPDE5A
SCHEMBL4051568 0.89 SCD (0.48) SCDTSHRAURKACYP3A4BRAF
SCHEMBL4060707 0.89 SCD (0.49) SCDFGFR1FGFR2FGFR3AURKA
SCHEMBL4059595 0.88 TP53 (0.56) FGFR1FGFR2FGFR3KDM4EALDH1A1
SCHEMBL4226507 0.88 SCD (0.48) SCDAURKACYP3A4BRAFNOS3
SCHEMBL4239962 0.87 SCD (0.48) SCDAURKACYP3A4BRAFNOS3
SCHEMBL4054757 0.87 SCD (0.50) SCDAURKACYP3A4BRAFPTGS2
SCHEMBL4056658 0.87 SCD (0.51) SCDAURKACYP3A4
SCHEMBL4054481 0.86 SCD (0.51) SCDAURKACYP3A4BRAF

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B SCD 4559/4885FGFR1 203/4885FGFR2 409/4885

“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.