SCHEMBL6407267

SCHEMBL6407267

Cc1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
HTT P42858 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL10000246 0.80 NPSR1 (0.48) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL10000245 0.80 NPSR1 (0.48) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1743253 0.80 NPC1 (0.52) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL11167793 0.79 PIK3CD (0.57) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL8098714 0.79 NPC1 (0.35) NPSR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2608309 0.78 NPC1 (0.60) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL16161600 0.78 RAB9A (0.58) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL9613271 0.76 LMNA (0.52) NPSR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12441005 0.76 NPSR1 (0.46) NPSR1L3MBTL1MAPTNPC1RAB9A
SCHEMBL27643315 0.76 NPC1 (0.55) NPSR1MAPTNPC1RAB9ASMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US disclosed
CN-100562518-C Arylethene-sulfonamides compounds ACTELION PHARMACEUTICALS LTD (CH) 2009-11-25 CN disclosed
CN-100537546-C Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
CN-100432070-C Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
CN-1326841-C Arylalkane-sulfonamides having endothelin antagonist activity ACTELION PHARMACEUTICALS LTD (CH) 2007-07-18 CN disclosed
CN-1633418-A Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD (CH) 2005-06-29 CN disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
CN-1612864-A Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-04 CN disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
CN-1524079-A Novel sulfonamides and their use as endothelin receptor antagonists ������˹ҩƷ��˾ 2004-08-25 CN disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
CN-1441788-A Novel arylethene sulfonamides ACTELION PHARMACEUTICALS LTD (CH) 2003-09-10 CN disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
CN-1100043-C Sulfonamide derivative and process for producing the same TANABE SEIYAKU CO (JP) 2003-01-29 CN disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
CN-1146990-A Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 1997-04-09 CN 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B NPSR1 984/4885L3MBTL1 4867/4885MAPT 3888/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B NPSR1 793/4885L3MBTL1 4866/4885MAPT 3924/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B NPSR1 793/4885L3MBTL1 4866/4885MAPT 3924/4885

“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.