SCHEMBL6250600

SCHEMBL6250600

CN(C)CCCOc1ccc(-c2[nH]c3ncc(Cl)cc3c2C2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.43
HRH3 Q9Y5N1 1/20 0.40
CXCR1 P25024 1/20 0.40
ACHE P22303 1/20 0.40
ALOX5 P09917 1/20 0.39
LSS P48449 1/20 0.38
BRAF P15056 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
TLR7 Q9NYK1 3/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PTPN1 P18031 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.36

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
SCHEMBL6503218 0.94 TNK2 (0.47) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6246178 0.86 TNK2 (0.42) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6507888 0.86 TNK2 (0.42) TNK2HRH3CXCR1ACHELSS
SCHEMBL6247182 0.85 TNK2 (0.43) TNK2HRH3CXCR1KCNH2TLR7
SCHEMBL6245061 0.85 TNK2 (0.41) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6244935 0.82 PDE3B (0.45) TNK2CHEK2
SCHEMBL6245037 0.80 TNK2 (0.41) TNK2HRH3ACHEALOX5LSS
Demeton S SCHEMBL6243668 0.79 TNK2 (0.37) TNK2CXCR1ACHEALOX5BRAF
SCHEMBL6220994 0.79 LSS (0.52) TNK2CXCR1ACHELSSAURKA
SCHEMBL6218299 0.78 AURKA (0.46) TNK2CXCR1ACHEALOX5LSS

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-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 US claimed
EP-1539758-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2005051380-A1 SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
WO-2004016610-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
US-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 US disclosed
EP-1539758-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016610-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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-20050215582-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 TNK2 110/4885HRH3 1587/4885CXCR1 3168/4885

“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.