SCHEMBL577669

SCHEMBL577669

[c]1nc2ncccc2nc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
MAOB P27338 1/20 0.39
CYP19A1 P11511 1/20 0.38
SYK P43405 1/20 0.38
TP53 P04637 1/20 0.38
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL577508 0.79 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6237157 0.74 RPS6KB2 (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL577647 0.69 PDPK1 (0.39) NPC1RAB9ASMN1; SMN2CYP19A1CYP2A6
SCHEMBL577571 0.69 RPS6KB2 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL578083 0.69 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL577301 0.69 KMT2A (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Quinoline SCHEMBL29827513 0.68 ALDH1A1 (0.65) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL577803 0.68 RPS6KB2 (0.64) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8225236 0.67 RPS6KB2 (0.51) ALDH1A1NPC1RAB9AHSD17B10HPGD
SCHEMBL8218830 0.67 RPS6KB2 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; 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 KDM4E 3609/4885ALDH1A1 1913/4885NPC1 427/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885NPC1 427/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885NPC1 427/4885

“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.