SCHEMBL6478733

SCHEMBL6478733

CCOC(=O)N1CCC(Nc2ccc3c(n2)nc(-c2ccc(F)cc2)n3-c2ccnc(NC3CCCC3)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
MAPK8 P45983 1/20 0.62
MAPK9 P45984 1/20 0.62
MAPK14 Q16539 1/20 0.47
NOS2 P35228 5/20 0.47
NOS1 P29475 4/20 0.47
NOS3 P29474 2/20 0.47
MAP4K4 O95819 1/20 0.44
MAPK10 P53779 9/20 0.43
DGAT1 O75907 1/20 0.43
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL6487771 0.82 MAPK8 (0.66) EGFRMAPK8MAPK9MAP4K4MAPK10
Diethylamine SCHEMBL6478017 0.78 EGFR (0.68) EGFRMAPK8MAPK9MAPK10CDK4
SCHEMBL6479091 0.78 EGFR (0.62) EGFRMAPK8MAPK9MAPK10
SCHEMBL6478321 0.78 MAPK8 (0.64) EGFRMAPK8MAPK9MAPK10CDK4
SCHEMBL6476578 0.78 MAPK8 (0.71) EGFRMAPK8MAPK9MAPK10CDK4
SCHEMBL6489073 0.78 MAPK8 (0.71) EGFRMAPK8MAPK9MAPK10CDK4
SCHEMBL6485328 0.77 EGFR (1.00) EGFRMAPK8MAPK9MAPK10
SCHEMBL6484686 0.76 EGFR (0.65) EGFRMAPK8MAPK9MAPK10
SCHEMBL6484542 0.76 MAPK8 (0.62) EGFRMAPK8MAPK9MAPK10
SCHEMBL6477463 0.76 MAPK9 (0.77) EGFRMAPK8MAPK9MAPK14MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 US claimed
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use REVESZ LASZLO (CH) 2004-04-29 US claimed
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 US disclosed
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use REVESZ LASZLO (CH) 2004-04-29 US disclosed
US-6608072-B1 Inhibiting production of soluble tumor necrosis factor or reducing inflammation NOVARTIS AG (CH) 2003-08-19 US disclosed
EP-1224185-A1 THIAZOLE AND IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2002-07-24 EP disclosed
WO-2001030778-A1 THIAZOLE AND IMIDAZO [4,5-B] PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2001-05-03 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-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use MAPK1, IRAK1, IRAK4 EGFR 1067/4885MAPK8 42/4885MAPK9 43/4885

“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.