SCHEMBL536495

SCHEMBL536495

COc1c(C2=CCNCC2)c(F)cc2c(=O)c3c(O)c(C#N)sc3n(C3CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKD3 O94806 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
CLK2 P49760 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
MAPK13 O15264 1/20 0.31

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
SCHEMBL537638 0.82 IKBKB (0.34) POLBIKBKBAURKACHUKMAPK13
SCHEMBL537639 0.82 IKBKB (0.36) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL2674468 0.81 KCNH2 (0.43) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL537747 0.79 IKBKB (0.33) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL537694 0.78 TOP2A (0.45)
SCHEMBL537020 0.78 KDM4E (0.40) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL2880218 0.78 KDM4E (0.41) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL2676884 0.78 KDM4E (0.41) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL537076 0.77 KCNH2 (0.39) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL2676038 0.76 KCNH2 (0.43) POLBKDM4EPRKD3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP claimed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US claimed
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP claimed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US claimed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO claimed
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 POLB 1071/4885KDM4E 2296/4885PRKD3 1605/4885

“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.