SCHEMBL2676459

SCHEMBL2676459

N#Cc1sc2c(c1O)c(=O)c1ccc(N3CCNCC3)c(OC(F)F)c1n2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.33
USP28 Q96RU2 1/20 0.31
USP25 Q9UHP3 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL2675462 0.89 ALK (0.39) ALKDRD2DRD4DRD3
SCHEMBL537048 0.86 KDM4E (0.34) ALKALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL537117 0.81 CYP11B1 (0.30)
SCHEMBL2674468 0.78 KCNH2 (0.43) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL2675757 0.77 ALDH1A1 (0.49) ALKALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL537747 0.75 IKBKB (0.33) ALK
SCHEMBL537636 0.75 MTOR (0.32)
SCHEMBL2675766 0.74 KCNH2 (0.39) ALKCYP3A4
SCHEMBL2675165 0.74 KDM4E (0.41) ALKALDH1A1HPGDHSD17B10KDM4E
SCHEMBL537371 0.74 KDM4E (0.41) ALKALDH1A1HPGDHSD17B10KDM4E

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 8 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
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US 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 ALK 4861/4885USP28 2675/4885USP25 2803/4885

“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.