SCHEMBL2053450

SCHEMBL2053450

NC(=O)c1[nH]c2cccnc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP1 P09874 1/20 0.41
MAP2 P11137 2/20 0.40
CHEK2 O96017 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2052754 0.88 TUBB4A (0.44) PARP1MAP2
SCHEMBL2053135 0.88 SMN1; SMN2 (0.43) SLC6A4PTGDR2ALDH1A1PARP1
SCHEMBL2048704 0.87 PKN1 (0.43) PARP1MAP2CHEK2
SCHEMBL4035973 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDPARP1MAP2
SCHEMBL4035321 0.83 MAPT (0.49) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL4041841 0.83 RHEB (0.42) ALDH1A1PARP1MAP2L3MBTL1
SCHEMBL4035241 0.83 MAP2 (0.41) ALDH1A1HPGDPARP1MAP2L3MBTL1
SCHEMBL4035489 0.82 SLC6A4 (0.43) SLC6A4PTGDR2KDM4EALDH1A1CYP1A2
SCHEMBL4033989 0.81 LMNA (0.39) PARP1
SCHEMBL4041230 0.81 PKM (0.45) KDM4EALDH1A1HPGDPARP1MAP2

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 13 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
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
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
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
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 SLC6A4 3839/4885PTGDR2 1781/4885KDM4E 141/4885
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 SLC6A4 3458/4885PTGDR2 1333/4885KDM4E 502/4885

“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.