SCHEMBL22600433

SCHEMBL22600433

CCOC(=O)CC(c1ccc(OC)nc1)n1cc2ccc(CCc3ccc4cccnc4n3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 7/20 0.35
ITGB3 P05106 8/20 0.35
ITGAV P06756 8/20 0.35
ITGB6 P18564 4/20 0.35
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
ITGA2B P08514 1/20 0.32
ITGB8 P26012 1/20 0.32
OXGR1 Q96P68 1/20 0.32
OXTR P30559 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL21282934 1.00 SUCNR1 (0.35) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL21282932 0.87 GRM2 (0.32) JMJD6OXTRFGFR1FGFR2FGFR4
SCHEMBL21282937 0.86 MTNR1A (0.34) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL21282930 0.86 MAPT (0.37) ITGB3ITGAVITGB6JMJD6OXTR
SCHEMBL21311521 0.83 ITGB3 (0.38) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL20153874 0.82 JMJD6 (0.33) ITGB3ITGAVITGB6JMJD6OXTR
SCHEMBL20153311 0.81 ITGB3 (0.36) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL23677937 0.80 JMJD6 (0.36) ITGB3ITGAVITGB6JMJD6OXTR
SCHEMBL20140487 0.80 ITGB3 (0.39) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL23462844 0.79 ITGAV (0.40) SUCNR1ITGB3ITGAVITGB6ITGB1

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-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US 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 (2 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 SUCNR1 2603/4885ITGB3 3/4885ITGAV 1/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 SUCNR1 2603/4885ITGB3 3/4885ITGAV 1/4885

“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.