SCHEMBL996573

SCHEMBL996573

Cc1ccc(-c2nccs2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.43
SYK P43405 3/20 0.43
HSP90AA1 P07900 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PDPK1 O15530 1/20 0.40
ZAP70 P43403 2/20 0.40
CDK2 P24941 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NOS1 P29475 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL999144 0.88 SRC (0.42) SRCSYKHSP90AA1TDP1ALOX15
SCHEMBL6871106 0.84 HSP90AA1 (0.43) SRCSYKHSP90AA1TDP1SMN1; SMN2
SCHEMBL13393593 0.84 SRC (0.47) SRCSYKHSP90AA1SMN1; SMN2NPC1
SCHEMBL28648763 0.82 SRC (0.43) SRCSYKHSP90AA1NPC1PKM
SCHEMBL10816472 0.81 SRC (0.49) SRCSYKHSP90AA1SMN1; SMN2NPC1
SCHEMBL12326416 0.81 SRC (0.42) SRCSYKHSP90AA1NPC1PKM
SCHEMBL11440352 0.81 ADORA2A (0.41) HSP90AA1ALDH1A1PDPK1LOXL2NOS1
SCHEMBL996619 0.81 F2RL1 (0.49) SYKHSP90AA1NPC1PKMRAB9A
SCHEMBL6309721 0.81 GCK (0.47) HSP90AA1TDP1ALOX15TP53CYP3A4
SCHEMBL28360050 0.81 HSP90AA1 (0.45) SYKHSP90AA1TDP1ALDH1A1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273027-B The macrocyclic hcv inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-12-02 CN disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-20100190994-A1 THIAZOLE SYSTEM ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LEE MI AE 2010-07-29 US disclosed
CN-101784634-A Thiazole system organic electroluminescent compounds and organic light emitting diode using the same GRACEL DISPLAY INC 2010-07-21 CN disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (2 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-20100190994-A1 THIAZOLE SYSTEM ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME OCIAD1, OCIAD2, PPARD SRC 1942/4885SYK 1219/4885HSP90AA1 4029/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 SRC 900/4885SYK 3694/4885HSP90AA1 3312/4885

“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.