SCHEMBL12676972

SCHEMBL12676972

CCOc1nc2ccccc2nc1/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
RELA Q04206 2/20 0.51
ALDH1A1 P00352 6/20 0.49
GAA P10253 5/20 0.49
KDM4E B2RXH2 7/20 0.46
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL12676963 0.87 RELA (0.49) EGFRRELAALDH1A1GAAKDM4E
SCHEMBL13595004 0.87 CYP11B1 (0.49) EGFRALDH1A1GAAKDM4ENPC1
SCHEMBL12676802 0.86 S100A4 (0.50) EGFRRELAALDH1A1GAAKDM4E
SCHEMBL12409504 0.84 ALDH1A1 (0.48) EGFRALDH1A1GAAKDM4ELMNA
SCHEMBL13595001 0.83 HRH4 (0.42) EGFRRELAALDH1A1GAAKDM4E
SCHEMBL8219137 0.82 KDM4E (0.48) ALDH1A1GAAKDM4EPDGFRBPDGFRA
SCHEMBL7926375 0.79 ALDH1A1 (0.60) ALDH1A1GAAKDM4ELMNAHSD17B10
SCHEMBL13595019 0.79 HRH4 (0.46) EGFRALDH1A1GAAKDM4ELMNA
SCHEMBL12676965 0.79 HRH4 (0.46) EGFRALDH1A1GAAKDM4ELMNA
SCHEMBL12669907 0.78 RAB9A (0.44) EGFRRELAALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7605126-B2 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-20 US disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (5 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-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ATG4A, CYP4A22, AADAC EGFR 2626/4885RELA 869/4885ALDH1A1 486/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 EGFR 2823/4885RELA 959/4885ALDH1A1 1236/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC EGFR 4091/4885RELA 821/4885ALDH1A1 1344/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC EGFR 4091/4885RELA 821/4885ALDH1A1 1344/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP EGFR 4226/4885RELA 802/4885ALDH1A1 1229/4885

“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.