Sugi Predict

Sugi Predict / Compounds / SCHEMBL2546563

SCHEMBL2546563

SCHEMBL2546563

CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OC)nc2N1[C@@H]1CCC(F)(F)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 19/20 0.65
▸ BRD4 O60885 15/20 0.65
▸ PLK3 Q9H4B4 2/20 0.60
▸ PLK2 Q9NYY3 1/20 0.60
▸ PRKD3 O94806 1/20 0.59
▸ MAP4K4 O95819 1/20 0.59
▸ PRKCG P05129 1/20 0.59
▸ CLK2 P49760 1/20 0.59
▸ RPS6KA3 P51812 1/20 0.59
▸ NEK4 P51957 1/20 0.59
▸ PTK2 Q05397 1/20 0.59
▸ CAMK2G Q13555 1/20 0.59
▸ CAMK2D Q13557 1/20 0.59
▸ SRPK1 Q96SB4 1/20 0.59
▸ PRKD2 Q9BZL6 1/20 0.59
▸ CSNK1G1 Q9HCP0 1/20 0.59
▸ CSNK1G3 Q9Y6M4 1/20 0.59

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
SCHEMBL2546565 1.00 PLK1 (0.65) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL2548091 0.93 BRD4 (0.59) PLK1BRD4PLK3PLK2
SCHEMBL2548088 0.93 BRD4 (0.59) PLK1BRD4PLK3PLK2
SCHEMBL384074 0.90 PLK1 (0.67) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1064778 0.90 PLK1 (0.67) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1064354 0.90 PLK1 (0.74) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1064351 0.90 PLK1 (0.74) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1066176 0.89 PLK1 (0.75) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1066172 0.89 PLK1 (0.75) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL2547056 0.87 PLK1 (0.79) PLK1BRD4PLK3PLK2PRKD3

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 PLK1 28/4885BRD4 868/4885PLK3 396/4885
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors MAP3K20, PRKCH, PACSIN2 PLK1 28/4885BRD4 868/4885PLK3 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.