SCHEMBL4119636

SCHEMBL4119636

COC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.67
AXL P30530 5/20 0.60
KCNH2 Q12809 1/20 0.52
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
PAK1 Q13153 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKN1 Q16512 1/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
IL2 P60568 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4119627 0.91 AXL (0.61) MAP4K1AXLMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4131847 0.87 MAP4K1 (0.61) MAP4K1AXLKCNH2CCNE2CCNE1
Hydrochloric Acid SCHEMBL4133749 0.86 MAP4K1 (0.59) MAP4K1AXLKCNH2CCNE2CCNE1
Hydrochloric Acid SCHEMBL4131354 0.84 CCNE2 (0.58) MAP4K1AXLKCNH2CCNE2CCNE1
SCHEMBL4119465 0.82 MAP4K1 (0.51) MAP4K1AXLPAK1PKN1CAMKK2
SCHEMBL30007360 0.82 AXL (0.72) AXLPAK1CYP2C19SGK1CAMKK2
SCHEMBL4121233 0.81 MAP3K11 (0.67) MAP4K1AXLCDK2
Hydrochloric Acid SCHEMBL4131246 0.81 GSK3B (0.72) MAP4K1CCNE2CCNE1CDK2GSK3B
Hydrochloric Acid SCHEMBL4125840 0.81 MAP4K1 (0.55) MAP4K1CCNE2CCNE1CDK2GSK3B
SCHEMBL4112313 0.80 AXL (0.59) MAP4K1AXL

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 2020/4885KCNH2 868/4885

“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.