SCHEMBL577244

SCHEMBL577244

CC(=O)Nc1nc2c(s1)C[N]CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
PIK3CG P48736 6/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 3/20 0.41
OGA O60502 1/20 0.39
PKM P14618 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
ADORA1 P30542 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL659214 0.79 TSHR (0.71) TSHRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL13035816 0.79 TSHR (0.67) TSHRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6748753 0.75 TSHR (0.47) TSHRPIK3CGPOLBNPC1RAB9A
SCHEMBL15006252 0.75 TSHR (0.50) TSHRPIK3CGPOLBNPC1RAB9A
SCHEMBL1926164 0.74 SMN1; SMN2 (0.33) TSHRNPC1RAB9ASMN1; SMN2GAA
Bromide SCHEMBL7295318 0.74 TSHR (0.49) TSHRPIK3CGPOLBNPC1RAB9A
SCHEMBL330155 0.74 TSHR (0.46) TSHRPIK3CGPOLBNPC1RAB9A
Bromide SCHEMBL5720527 0.74 TSHR (0.46) TSHRPIK3CGPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL20764968 0.73 TSHR (0.44) TSHRPIK3CGPOLBNPC1RAB9A
SCHEMBL15025136 0.73 PIK3CG (0.51) TSHRPIK3CGPOLBNPC1RAB9A

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 TSHR 4260/4885PIK3CG 3246/4885POLB 3460/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TSHR 4260/4885PIK3CG 3246/4885POLB 3460/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TSHR 4260/4885PIK3CG 3246/4885POLB 3460/4885

“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.