SCHEMBL15077901

SCHEMBL15077901

COc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)c3c(O)csc3n(C3CC3)c12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.60
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2675969 0.87 KCNH2 (0.44) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL15053313 0.86 KCNH2 (0.59) KCNH2
SCHEMBL15053309 0.86 KCNH2 (0.59) KCNH2
SCHEMBL15052799 0.85 KCNH2 (0.60) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15052798 0.85 KCNH2 (0.60) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15052960 0.85 KCNH2 (0.60) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15052958 0.85 KCNH2 (0.60) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL616024 0.85 KCNH2 (0.59) KCNH2
SCHEMBL729603 0.85 KCNH2 (0.59) KCNH2
SCHEMBL729604 0.85 KCNH2 (0.59) KCNH2

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
WO-2013096785-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 US disclosed
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 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-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, DDX5, QTRT2 KCNH2 1892/4885CYP1A2 162/4885CYP3A4 133/4885

“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.