SCHEMBL18077764

SCHEMBL18077764

O=c1c2nccnc2c(-c2cnn(CCO)c2)cn1-c1ccc(OCF)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.36
▸ PDK2 Q15119 13/20 0.36
▸ FEN1 P39748 1/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ MET P08581 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ BTK Q06187 2/20 0.35
▸ NTRK3 Q16288 2/20 0.35
▸ NTRK2 Q16620 2/20 0.35
▸ TAOK1 Q7L7X3 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35

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
SCHEMBL16474940 0.88 ABL1 (0.47) ABL1PDK2
SCHEMBL18811901 0.86 BRD4 (0.38) ABL1FGFR1AURKAMAPK8AXL
SCHEMBL18811825 0.80 ROCK2 (0.34) AURKALCKFLT1KDRACVR1
SCHEMBL18077656 0.80 PDK2 (0.35) ABL1PDK2FEN1FGFR1MAP4K4
SCHEMBL18077717 0.76 BRD4 (0.36) ABL1FGFR1MAP4K4NTRK1FYN
SCHEMBL18812001 0.75 PRKACA (0.35) ABL1PDK2FGFR1BTKCSF1R
SCHEMBL18077757 0.75 AXL (0.35) FGFR1LCKCSF1RPDGFRBPDGFRA
SCHEMBL18077678 0.75 BRD4 (0.42) BTKLCKMAPK8AXL
SCHEMBL18811981 0.74 GRM2 (0.40) —
SCHEMBL18812087 0.73 BRD4 (0.38) FGFR1GSK3BBTKAURKALCK

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 ABL1 3203/4885PDK2 1258/4885FEN1 472/4885

“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.

Send feedback