SCHEMBL4121233

SCHEMBL4121233

COC(=O)c1c[nH]c2ncc(-c3ccc(CN4CCN(C)CC4)cc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 7/20 0.67
MAP4K1 Q92918 1/20 0.65
TNIK Q9UKE5 11/20 0.64
AXL P30530 2/20 0.61
IKBKB O14920 1/20 0.60
CHUK O15111 1/20 0.60
ABL1 P00519 1/20 0.60
INSR P06213 1/20 0.60
CDK2 P24941 1/20 0.60
FLT3 P36888 1/20 0.60

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 0.91 AXL (0.62) MAP3K11MAP4K1TNIKAXL
SCHEMBL4126100 0.89 MAP4K1 (0.65) MAP3K11MAP4K1TNIKAXL
SCHEMBL4112313 0.86 AXL (0.59) MAP3K11MAP4K1TNIKAXL
SCHEMBL27667239 0.83 MAP3K11 (0.65) MAP3K11MAP4K1TNIKIKBKBCHUK
SCHEMBL22971621 0.81 MAP3K11 (0.74) MAP3K11MAP4K1TNIKIKBKBCHUK
SCHEMBL4119636 0.81 MAP4K1 (0.67) MAP4K1AXLCDK2
SCHEMBL7513626 0.81 TNIK (0.75) MAP3K11MAP4K1TNIKIKBKBCHUK
SCHEMBL22971589 0.80 MAP3K11 (0.84) MAP3K11MAP4K1TNIKIKBKBCHUK
SCHEMBL12066038 0.80 MAP3K11 (1.00) MAP3K11MAP4K1TNIKIKBKBCHUK
SCHEMBL28502500 0.80 MAP3K11 (0.73) MAP3K11MAP4K1TNIKIKBKBCHUK

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 2 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

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 MAP3K11 1133/4885MAP4K1 939/4885TNIK 3841/4885

“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.