SCHEMBL2548088

SCHEMBL2548088

CCNC(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC(F)(F)C2)[C@H](CC)c2nncn2-3)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.59
PLK1 P53350 19/20 0.57
PLK3 Q9H4B4 2/20 0.52
PLK2 Q9NYY3 2/20 0.52

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
SCHEMBL2548091 1.00 BRD4 (0.59) BRD4PLK1PLK3PLK2
SCHEMBL2546565 0.93 PLK1 (0.65) BRD4PLK1PLK3PLK2
SCHEMBL2546563 0.93 PLK1 (0.65) BRD4PLK1PLK3PLK2
SCHEMBL383777 0.90 BRD4 (0.74) BRD4PLK1PLK3PLK2
SCHEMBL383778 0.90 BRD4 (0.74) BRD4PLK1PLK3PLK2
SCHEMBL2542722 0.86 PLK1 (0.70) BRD4PLK1PLK3PLK2
SCHEMBL2542726 0.86 PLK1 (0.70) BRD4PLK1PLK3PLK2
SCHEMBL1064778 0.86 PLK1 (0.67) BRD4PLK1PLK3PLK2
SCHEMBL384074 0.86 PLK1 (0.67) BRD4PLK1PLK3PLK2
SCHEMBL384191 0.84 BRD4 (0.74) BRD4PLK1PLK3PLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US claimed
EP-2190849-B1 4-(9-(3,3-DIFLUOROCYCLOPENTYL)-5,7,7-TRIMETHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B[1,4]DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2013-11-20 EP claimed
US-8461149-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US claimed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US claimed
EP-2190849-A2 COMPOUNDS USEFUL AS PROTEIN KINASES INHIBITORS Vertex Pharmceuticals Incorporated (US) 2010-06-02 EP claimed
WO-2009023269-A2 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-19 WO claimed
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
EP-2190849-B1 4-(9-(3,3-DIFLUOROCYCLOPENTYL)-5,7,7-TRIMETHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B[1,4]DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2013-11-20 EP disclosed
US-8461149-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
EP-2190849-A2 COMPOUNDS USEFUL AS PROTEIN KINASES INHIBITORS Vertex Pharmceuticals Incorporated (US) 2010-06-02 EP disclosed
WO-2009023269-A2 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-19 WO 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-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, PRKCH, PACSIN2 BRD4 868/4885PLK1 28/4885PLK3 396/4885
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors MAP3K20, PRKCH, PACSIN2 BRD4 868/4885PLK1 28/4885PLK3 396/4885

“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.