SCHEMBL577984

SCHEMBL577984

OCc1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.40
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FYN P06241 2/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GBA1 P04062 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SRPK1 Q96SB4 1/20 0.33
LTA4H P09960 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL577771 0.84 RPS6KB2 (0.39) RPS6KB2CYP17A1CYP11B1CYP11B2HSD17B10
SCHEMBL577571 0.82 RPS6KB2 (0.46) RPS6KB2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL577898 0.80 ADORA2A (0.40) ALDH1A1KDM4EGBA1SMN1; SMN2MEN1
SCHEMBL578083 0.79 NPC1 (0.49) RPS6KB2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL577301 0.79 KMT2A (0.45) RPS6KB2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL577508 0.78 KDM4E (0.49) RPS6KB2HSD17B10ALDH1A1KDM4EGBA1
SCHEMBL577715 0.77 RPS6KB2 (0.55) RPS6KB2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL577988 0.77 RPS6KB2 (0.42) RPS6KB2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL577780 0.76 GRM1 (0.43) RPS6KB2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL577211 0.76 ABCG2 (0.41) RPS6KB2ALDH1A1KDM4EHPGDSMN1; SMN2

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 RPS6KB2 1615/4885CYP17A1 952/4885CYP11B1 1679/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885CYP17A1 952/4885CYP11B1 1679/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885CYP17A1 952/4885CYP11B1 1679/4885

“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.