SCHEMBL13341891

SCHEMBL13341891

COc1ccccc1-c1c[nH]c2ncc(-c3cc(F)c(F)c(C(=O)N(C)CCN(C)C)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.60
ABL1 P00519 2/20 0.59
BTK Q06187 3/20 0.47
ITK Q08881 3/20 0.47
MAP3K11 Q16584 3/20 0.45
AXL P30530 2/20 0.44
CAMKK2 Q96RR4 1/20 0.44
KIT P10721 6/20 0.44
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL12763590 0.93 MAP4K1 (0.60) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL12763019 0.91 MAP4K1 (0.65) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL13341888 0.90 MAP4K1 (0.73) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL13342243 0.88 MAP4K1 (0.61) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL13342181 0.87 MAP4K1 (0.62) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL12763585 0.87 MAP4K1 (0.60) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL13342296 0.87 ABL1 (0.63) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL1516633 0.87 MAP4K1 (0.66) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL13342486 0.86 MAP4K1 (0.66) MAP4K1ABL1BTKITKMAP3K11
SCHEMBL14043313 0.86 MAP4K1 (0.59) MAP4K1ABL1BTKITKMAP3K11

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 MAP4K1 3/4885ABL1 348/4885BTK 255/4885

“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.