SCHEMBL2053003

SCHEMBL2053003

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
MAP2 P11137 1/20 0.39
TYMS P04818 1/20 0.39
LMNA P02545 2/20 0.39
RPS6KB1 P23443 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CDC7 O00311 1/20 0.37
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 2/20 0.36
GRM4 Q14833 1/20 0.36
JAK2 O60674 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
EPHX1 P07099 1/20 0.36
PARP1 P09874 2/20 0.35
HAO1 Q9UJM8 1/20 0.35

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) PTGS2RPS6KB1JAK2PARP1
SCHEMBL2053166 0.86 ICAM1 (0.39) PTGS2RAB9ACDC7TGFBR1TGFBR2
SCHEMBL4035973 0.86 KDM4E (0.45) MAP2TYMSRPS6KB1POLBALDH1A1
SCHEMBL2049205 0.86 PNP (0.39) PTGS2TYMSRPS6KB1RAB9ACDC7
SCHEMBL2050384 0.85 PARP1 (0.45) LMNARPS6KB1ALDH1A1TGFBR1GRM4
SCHEMBL2052754 0.85 TUBB4A (0.44) PTGS2MAP2PARP1
SCHEMBL4035517 0.83 TYMS (0.37) TYMSLMNARPS6KB1POLBALDH1A1
SCHEMBL2053600 0.83 JAK2 (0.52) PTGS2CDC7TGFBR1GRM4JAK2
SCHEMBL4035423 0.82 ALDH1A1 (0.44) LMNAALDH1A1HPGDRAB9ACDC7
SCHEMBL2048704 0.82 PKN1 (0.43) PTGS2MAP2TYMSRPS6KB1CDC7

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 18 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-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 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 PTGS2 1527/4885MAP2 217/4885TYMS 3600/4885
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 PTGS2 1544/4885MAP2 381/4885TYMS 3120/4885

“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.