SCHEMBL4126100

SCHEMBL4126100

COC(=O)c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)cc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.65
AXL P30530 5/20 0.60
MAP3K11 Q16584 4/20 0.53
TNIK Q9UKE5 8/20 0.51
CHEK1 O14757 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL4113498 0.90 AXL (0.62) MAP4K1AXLMAP3K11TNIKCHEK1
SCHEMBL4121233 0.89 MAP3K11 (0.67) MAP4K1AXLMAP3K11TNIK
SCHEMBL28901919 0.88 MAP4K1 (0.62) MAP4K1MAP3K11TNIKCHEK1ACHE
Hydrochloric Acid SCHEMBL4114342 0.86 MAP4K1 (0.59) MAP4K1AXLMAP3K11TNIKCHEK1
SCHEMBL4123805 0.86 AXL (0.57) MAP4K1AXL
SCHEMBL5430498 0.85 NR4A2 (0.60) MAP4K1CHEK1
Hydrochloric Acid SCHEMBL4126148 0.82 MAP4K1 (0.53) MAP4K1AXLMAP3K11TNIKCHEK1
SCHEMBL29042029 0.82 AXL (0.58) MAP4K1AXL
SCHEMBL30508265 0.82 AXL (0.58) MAP4K1AXL
SCHEMBL16343639 0.80 MAP4K1 (0.64) MAP4K1MAP3K11TNIKCHEK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018130-A1 Derivatives of 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxamide or 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxylic Acid ASTRAZENECA AB (SE) 2009-01-15 US claimed
US-20090018130-A1 Derivatives of 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxamide or 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxylic Acid ASTRAZENECA AB (SE) 2009-01-15 US disclosed
EP-1761530-A1 NEW DERIVATIVES OF 5-ARYL-1H-PYRROLO [2, 3B] PYRIDINE-3-CARBOXAMIDE OR 5-ARYL-1H-PYRROLO [2, 3B] PYRIDINE-3-CARBOXYLIC ACID AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001754-A1 NEW DERIVATIVES OF 5-ARYL-1H-PYRROLO [2, 3B] PYRIDINE-3-CARBOXAMIDE OR 5-ARYL-1H-PYRROLO [2, 3B] PYRIDINE-3-CARBOXYLIC ACID ASTRAZENECA AB (SE) 2006-01-05 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-20090018130-A1 Derivatives of 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxamide or 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxylic Acid AADAC, PAH, PDE7A MAP4K1 939/4885AXL 2020/4885MAP3K11 1133/4885

“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.