SCHEMBL6503218

SCHEMBL6503218

CN(C)CCCOc1ccc(-c2[nH]c3ncc(Cl)cc3c2C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.47
CXCR1 P25024 1/20 0.43
ACHE P22303 1/20 0.42
ALOX5 P09917 1/20 0.41
LSS P48449 1/20 0.41
BRAF P15056 3/20 0.40
TLR7 Q9NYK1 2/20 0.39
PTPN1 P18031 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
CHEK2 O96017 1/20 0.39
MAOA P21397 1/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6250600 0.94 TNK2 (0.43) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6507888 0.89 TNK2 (0.42) TNK2CXCR1ACHELSSTLR7
SCHEMBL6246178 0.89 TNK2 (0.42) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6247182 0.89 TNK2 (0.43) TNK2CXCR1TLR7AURKAAURKB
SCHEMBL6245061 0.89 TNK2 (0.41) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6244935 0.86 PDE3B (0.45) TNK2CHEK2KDM4EALDH1A1
Demeton S SCHEMBL6243668 0.84 TNK2 (0.37) TNK2CXCR1ACHEALOX5BRAF
SCHEMBL6220994 0.82 LSS (0.52) TNK2CXCR1ACHELSSAURKA
SCHEMBL6218299 0.81 AURKA (0.46) TNK2CXCR1ACHEALOX5LSS
SCHEMBL6245037 0.80 TNK2 (0.41) TNK2ACHEALOX5LSSTLR7

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-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 US claimed
US-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 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-20050215582-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 TNK2 110/4885CXCR1 3168/4885ACHE 3533/4885

“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.