SCHEMBL17324699

SCHEMBL17324699

CC(=O)c1c[nH]c2ncc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
AXL P30530 6/20 0.45
DYRK1A Q13627 4/20 0.43
CLK1 P49759 3/20 0.43
CYP2C19 P33261 2/20 0.41
HSD11B1 P28845 1/20 0.41
HASPIN Q8TF76 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CYP2C9 P11712 1/20 0.39
DCLK1 O15075 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 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
SCHEMBL2814713 0.87 AXL (0.47) AXLDYRK1ACLK1HSD11B1GSK3A
SCHEMBL9938142 0.84 AXL (0.63) AXLSGK1
SCHEMBL30020999 0.84 AXL (0.63) AXLSGK1
SCHEMBL18052042 0.84 AXL (0.39) AXLDYRK1ACLK1CYP2C19HSD11B1
SCHEMBL22049462 0.84 AXL (0.42) AXLDYRK1ACLK1HSD11B1DYRK3
SCHEMBL22837773 0.84 AXL (0.39) AXLDYRK1ACLK1CYP2C19HSD11B1
SCHEMBL17321398 0.83 AXL (0.42) AXLDYRK1ACLK1CYP2C19HSD11B1
SCHEMBL19997224 0.83 AXL (0.42) AXLCLK1CYP2C19CYP2C9DCLK1
SCHEMBL12146867 0.82 CYP2C19 (0.47) PIK3CAAXLCYP2C19HASPINPBRM1
SCHEMBL24197776 0.82 AXL (0.39) AXLCLK1CYP2C19HSD11B1CYP2C9

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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PIK3CA 193/4885AXL 2131/4885DYRK1A 1106/4885

“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.