SCHEMBL585496

SCHEMBL585496

[c]1cnc2cc3c(cc2n1)OCO3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
MPO P05164 3/20 0.34
MAOB P27338 2/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 6/20 0.32
HPGD P15428 6/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 4/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 3/20 0.31
PDE5A O76074 1/20 0.31
ATM Q13315 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
SCHEMBL6188659 0.64 ALDH1A1 (0.44) RPS6KB2PDGFRBPDGFRARAB9ACYP3A4
SCHEMBL8930679 0.64 ABCG2 (0.53) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4038292 0.63 PDE10A (0.33) FGFR1MPORPS6KB2PDGFRBPDGFRA
SCHEMBL2300942 0.61 NQO2 (0.42) FGFR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9193158 0.61 CHRNB2 (0.42) FGFR1MPORPS6KB2PDGFRBPDGFRA
SCHEMBL405980 0.61 F7 (0.42) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL30605544 0.60 EGFR (0.44) RPS6KB2PDGFRBPDGFRANPC1RAB9A
SCHEMBL3783578 0.60 EGFR (0.44) RPS6KB2PDGFRBPDGFRANPC1RAB9A
SCHEMBL29408377 0.60 QPCT (0.51) FGFR1NPC1RAB9ACYP3A4ALDH1A1
SCHEMBL30492979 0.60 NPC1 (0.41) FGFR1MPORPS6KB2PDGFRBPDGFRA

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
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 FGFR1 4203/4885MPO 385/4885MAOB 1062/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 FGFR1 4203/4885MPO 385/4885MAOB 1062/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 FGFR1 4203/4885MPO 385/4885MAOB 1062/4885

“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.