SCHEMBL8005787

SCHEMBL8005787

C=Cc1cccc(-c2nc3ccccc3nc2O[C@H]2CN[C@H](C(=O)OC)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CHEK2 O96017 2/20 0.36
KDR P35968 2/20 0.35
PIM2 Q9P1W9 1/20 0.33
P2RX3 P56373 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL13864615 0.86 PIM1 (0.41) PIM1CHEK2KDRPIM2P2RX3
SCHEMBL10292807 0.81 SCN9A (0.33) HDAC1HDAC8HDAC6HPGD
SCHEMBL8012000 0.79 PIM1 (0.42) PIM1CHEK2KDRPIM2P2RX3
Hydrochloric Acid SCHEMBL1070043 0.78 PIM1 (0.42) PIM1CHEK2KDRPIM2P2RX3
SCHEMBL8012008 0.78 PIM1 (0.44) PIM1CHEK2KDRPIM2P2RX3
Hydrochloric Acid SCHEMBL1072259 0.77 PIM1 (0.43) PIM1CHEK2KDRPIM2P2RX3
SCHEMBL8010656 0.76 UCHL1 (0.40) P2RX3
SCHEMBL881966 0.76 PIM1 (0.44) PIM1CHEK2KDRPIM2P2RX3
SCHEMBL8257072 0.76 PIM1 (0.44) PIM1CHEK2KDRPIM2HPGD
SCHEMBL16077806 0.76 PIM1 (0.39) PIM1CHEK2KDRPIM2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US disclosed
WO-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 PIM1 1143/4885CHEK2 3679/4885KDR 4186/4885

“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.