SCHEMBL4257404

SCHEMBL4257404

COc1cc(C)c(N)c(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NNMT P40261 2/20 0.42
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 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
SCHEMBL21383719 0.79 POLB (0.49) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL23293813 0.79 KDM4E (0.43) TDP1ALDH1A1KDM4EGABRPGABRD
SCHEMBL25331044 0.76 POLB (0.57) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL536181 0.75 ALDH1A1 (0.46) POLBTDP1ALDH1A1KDM4EGABRP
SCHEMBL31569481 0.74 POLB (0.44) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL25393421 0.74 POLB (0.44) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL12113956 0.74 POLB (0.44) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL31133327 0.73 TDP1 (0.53) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL1279306 0.73 TDP1 (0.53) POLBTDP1LMNAALDH1A1KDM4E
SCHEMBL21826149 0.71 POLB (0.56) POLBTDP1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 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-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 POLB 4026/4885TDP1 3454/4885LMNA 1222/4885

“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.