SCHEMBL9975911

SCHEMBL9975911

Ic1ccc(-c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 3/20 0.41
KDM4E B2RXH2 4/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
GAA P10253 1/20 0.40
MAPK13 O15264 2/20 0.39
GCGR P47871 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 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
SCHEMBL4195594 0.85 NPC1 (0.53) HPSEKDM4ELDHAEPHX2ALDH1A1
SCHEMBL2668125 0.84 NPC1 (0.56) HPSEKDM4ELDHAEPHX2ALDH1A1
SCHEMBL9692278 0.83 KDM4E (0.54) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL6245186 0.83 MAPT (0.58) HPSEKDM4ELDHAEPHX2ALDH1A1
Methane SCHEMBL9692076 0.82 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL15633796 0.82 NPC1 (0.46) KDM4ELDHAEPHX2ALDH1A1NPC1
SCHEMBL5320202 0.81 NPC1 (0.40) HPSEKDM4ELDHAEPHX2ALDH1A1
SCHEMBL4465876 0.80 HDAC6 (0.61) KDM4EALDH1A1GCGRKMT2ATNKS
SCHEMBL3237120 0.80 TRPV1 (0.56) MAPK13MAPK12MAPK11MAPK14TNKS
SCHEMBL4186401 0.78 NPC1 (0.42) HPSEKDM4ELDHAEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (4 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E HPSE 1889/4885KDM4E 2970/4885LDHA 1437/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 HPSE 892/4885KDM4E 3082/4885LDHA 2135/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 HPSE 892/4885KDM4E 3082/4885LDHA 2135/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E HPSE 1889/4885KDM4E 2970/4885LDHA 1437/4885

“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.