SCHEMBL13341908

SCHEMBL13341908

COc1ccccc1-c1c[nH]c2ncc(-c3cncc(F)c3)cc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.68
KIT P10721 10/20 0.60
MAP3K11 Q16584 2/20 0.59
AAK1 Q2M2I8 1/20 0.56
MAP4K1 Q92918 1/20 0.56
PIK3CA P42336 2/20 0.54
NTRK1 P04629 1/20 0.54
DYRK1A Q13627 2/20 0.54
CLK1 P49759 1/20 0.53
SLC2A1 P11166 1/20 0.52

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
SCHEMBL13708998 0.89 ABL1 (0.55) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL12762980 0.87 ABL1 (0.69) ABL1KITAAK1MAP4K1PIK3CA
SCHEMBL12762937 0.86 ABL1 (0.71) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL20812402 0.86 KIT (0.72) ABL1KITAAK1MAP4K1PIK3CA
SCHEMBL8321166 0.86 KIT (0.73) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL12763228 0.85 ABL1 (0.65) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL12763560 0.85 KIT (0.74) ABL1KITAAK1MAP4K1PIK3CA
SCHEMBL12762873 0.85 KIT (0.61) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL14043043 0.84 ABL1 (0.80) ABL1KITMAP3K11AAK1MAP4K1
SCHEMBL12762948 0.83 ABL1 (0.58) ABL1KITMAP3K11AAK1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 ABL1 348/4885KIT 1085/4885MAP3K11 26/4885

“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.