Sugi Predict

Sugi Predict / Compounds / SCHEMBL2401008

SCHEMBL2401008

SCHEMBL2401008

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 15/20 0.84
▸ BRD4 O60885 9/20 0.84
▸ BRDT Q58F21 8/20 0.84
▸ RAD52 P43351 1/20 0.76
▸ PLK3 Q9H4B4 3/20 0.70
▸ ALK Q9UM73 3/20 0.69
▸ DAPK3 O43293 2/20 0.68
▸ PRKD3 O94806 2/20 0.68
▸ CHEK2 O96017 2/20 0.68
▸ EGFR P00533 2/20 0.68
▸ FES P07332 2/20 0.68
▸ PHKG2 P15735 2/20 0.68
▸ CSNK1D P48730 2/20 0.68
▸ CLK2 P49760 2/20 0.68
▸ NEK2 P51955 2/20 0.68
▸ PTK2 Q05397 2/20 0.68
▸ CAMK2B Q13554 2/20 0.68
▸ CAMK2G Q13555 2/20 0.68
▸ CAMK2D Q13557 2/20 0.68
▸ PTK2B Q14289 2/20 0.68

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
SCHEMBL3543710 0.99 PLK1 (0.83) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3548411 0.98 PLK1 (0.83) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2394748 0.98 PLK1 (0.83) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2397141 0.96 PLK1 (0.78) PLK1BRD4BRDTRAD52PLK3
SCHEMBL4097677 0.96 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL4097674 0.96 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL23025803 0.96 PLK1 (0.77) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2399362 0.96 PLK1 (0.77) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL1202614 0.94 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL29919216 0.94 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 — — US claimed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 — — US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 — — US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 — — US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 — — US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 — — US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 — — US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 — — US disclosed
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 — — US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 — — WO disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 — — WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — 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 (7 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-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PLK1 847/4885BRD4 2662/4885BRDT 3116/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885BRD4 123/4885BRDT 42/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885BRD4 1323/4885BRDT 579/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PLK1 349/4885BRD4 669/4885BRDT 741/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PLK1 23/4885BRD4 1149/4885BRDT 1090/4885

“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.