SCHEMBL4119627

SCHEMBL4119627

COC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.61
MAP4K1 Q92918 1/20 0.55
GLA P06280 1/20 0.52
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SGK1 O00141 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
MAPT P10636 1/20 0.45
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL4119636 0.91 MAP4K1 (0.67) AXLMAP4K1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL4124544 0.87 MAP4K1 (0.50) AXLMAP4K1ALDH1A1MEN1KMT2A
SCHEMBL30007360 0.83 AXL (0.72) AXLSGK1CAMKK2AAK1
Hydrochloric Acid SCHEMBL4120067 0.82 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1HPGD
SCHEMBL4113498 0.81 AXL (0.62) AXLMAP4K1
SCHEMBL30008314 0.80 AXL (0.67) AXLSGK1CAMKK2AAK1
SCHEMBL3707284 0.79 BRAF (0.54)
Hydrochloric Acid SCHEMBL4131847 0.78 MAP4K1 (0.61) AXLMAP4K1MEN1HPGDKMT2A
SCHEMBL3707282 0.78 CYP2C19 (0.54)
SCHEMBL3708844 0.77 BRAF (0.55)

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 AXL 2020/4885MAP4K1 939/4885GLA 1164/4885

“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.