SCHEMBL2049205

SCHEMBL2049205

NC(=O)c1[nH]c2cccnc2c1Sc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
TYMS P04818 2/20 0.39
CDC7 O00311 1/20 0.37
JAK2 O60674 1/20 0.36
GRM5 P41594 1/20 0.36
PARP1 P09874 4/20 0.35
PKN1 Q16512 2/20 0.34
PKN2 Q16513 2/20 0.34
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 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
PHKG2 P15735 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 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
SCHEMBL2052779 0.87 PLK4 (0.44) JAK2PARP1PKN1PKN2PLK4
SCHEMBL2053166 0.86 ICAM1 (0.39) CDC7JAK2GRM5PARP1PKN1
SCHEMBL4035973 0.86 KDM4E (0.45) TYMSPARP1RPS6KB1
SCHEMBL2053003 0.86 PTGS2 (0.40) TYMSCDC7JAK2PARP1RPS6KB1
SCHEMBL2052754 0.85 TUBB4A (0.44) PARP1PTGS2PARP2DHODHSIRT1
SCHEMBL2053600 0.83 JAK2 (0.52) CDC7JAK2PARP1PKN1PKN2
SCHEMBL2050384 0.83 PARP1 (0.45) GRM5PARP1RPS6KB1AURKBTGFBR1
SCHEMBL4033058 0.83 TYMS (0.37) PNPTYMSCDC7JAK2GRM5
SCHEMBL4035423 0.82 ALDH1A1 (0.44) CDC7PARP1NPC1PKMRAB9A
SCHEMBL2048704 0.82 PKN1 (0.43) TYMSCDC7PARP1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4691506-B2 2011-06-01 JP claimed
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
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 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
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 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 PNP 3060/4885TYMS 3600/4885CDC7 855/4885
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 PNP 2072/4885TYMS 3120/4885CDC7 419/4885

“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.