SCHEMBL4032842

SCHEMBL4032842

NC(=O)c1[nH]c2cccnc2c1Sc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
PTPN11 Q06124 1/20 0.40
RHEB Q15382 2/20 0.38
USP7 Q93009 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ROCK2 O75116 2/20 0.35
USP47 Q96K76 1/20 0.35
NUDT1 P36639 1/20 0.34
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DYRK3 O43781 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL4041230 0.91 PKM (0.45) PARP1RHEBPKMMAPTHPGD
SCHEMBL4038436 0.84 PARP1 (0.47) PARP1RHEBPKMMAPTHPGD
SCHEMBL4035286 0.83 PTPN11 (0.38) PARP1PTPN11RHEBUSP7PKM
SCHEMBL4035241 0.83 MAP2 (0.41) PARP1RHEBHPGDTGFBR1TGFBR2
SCHEMBL4041841 0.83 RHEB (0.42) PARP1RHEBMAPTTGFBR1TGFBR2
SCHEMBL4038535 0.82 KDM4E (0.39) PARP1RHEBMAPTROCK2NUDT1
SCHEMBL4033751 0.81 PTGS2 (0.40) PARP1MAPTHPGDROCK2PLK4
SCHEMBL2049138 0.81 MAP2 (0.38) PARP1TGFBR1TGFBR2JAK2
SCHEMBL2053450 0.80 SLC6A4 (0.45) PARP1HPGDCHEK2
SCHEMBL4033935 0.79 TUBB4A (0.36) PARP1HPGDCCNCCDK8TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed
CN-100439367-C Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMA INC (US) 2008-12-03 CN claimed
US-7402672-B2 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2008-07-22 US claimed
CN-1906194-A Substituted 1H-pyrrolo [3, 2-b, 3, 2-c and 2, 3-c ] pyridine-2-carboxamides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2007-01-31 CN claimed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 US claimed
US-7626027-B2 Substituted 1H-pyrrolo[2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase Iε AVENTIS PHARMACEUTICALS INC (US) 2009-12-01 US disclosed
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP disclosed
CN-100439367-C Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMA INC (US) 2008-12-03 CN disclosed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US disclosed
US-7402672-B2 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2008-07-22 US disclosed
EP-1747220-A1 SUBSTITUTED 1H-PYRROLO 3,2-B, 3,2-C, AND 2,3-C¨PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals Inc. (US) 2007-01-31 EP disclosed
CN-1906194-A Substituted 1H-pyrrolo [3, 2-b, 3, 2-c and 2, 3-c ] pyridine-2-carboxamides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2007-01-31 CN disclosed
WO-2005061498-A1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2005-07-07 WO disclosed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 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 (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-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 PARP1 1639/4885PTPN11 1833/4885RHEB 1921/4885
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon CSNK2A3, PACSIN2, CSNK1G3 PARP1 2221/4885PTPN11 2808/4885RHEB 2153/4885

“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.