SCHEMBL18077656

SCHEMBL18077656

CCn1ccc2c(-c3cnn(CCO)c3)cn(-c3ccc(OCF)cc3)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.35
▸ ABL1 P00519 3/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ NTRK1 P04629 3/20 0.33
▸ NTRK3 Q16288 2/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ FER P16591 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FRK P42685 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL16474985 0.90 ABL1 (0.43) PDK2ABL1PDK1PDK3
SCHEMBL18077741 0.82 ESRRA (0.38) ESRRA
SCHEMBL18077782 0.81 CHUK (0.35) —
SCHEMBL18077764 0.80 ABL1 (0.36) PDK2ABL1FGFR1FEN1KDM5B
SCHEMBL18077777 0.79 BRD4 (0.37) FGFR1METAXLGSK3BESRRA
SCHEMBL18812103 0.79 PRKACA (0.35) PDK2ABL1FGFR1KDM5BLYN
SCHEMBL18077655 0.78 BRD4 (0.43) PDK2AXLESRRA
SCHEMBL16474446 0.77 ABL1 (0.42) ABL1NTRK1NTRK3AXLNTRK2
SCHEMBL16474983 0.77 ABL1 (0.42) ABL1NTRK1NTRK3KITBTK
SCHEMBL16475024 0.76 BRD4 (0.38) ABL1FGFR1NTRK1MAP4K4INSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 — — 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 (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-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885ABL1 3203/4885FGFR1 1551/4885

“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.

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