SCHEMBL3546382

SCHEMBL3546382

CN1C(=O)CCN(C2CCC2)c2nc(Cl)ncc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.51
TTK P33981 8/20 0.51
PLK4 O00444 1/20 0.45
GAK O14976 1/20 0.45
STK33 Q9BYT3 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
RAD52 P43351 1/20 0.44
BRD4 O60885 2/20 0.36
BRDT Q58F21 2/20 0.36
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALK Q9UM73 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL1203651 0.97 PLK1 (0.53) PLK1TTKPLK4GAKSTK33
SCHEMBL30135828 0.97 PLK1 (0.53) PLK1TTKPLK4GAKSTK33
SCHEMBL3537772 0.96 PLK1 (0.52) PLK1TTKPLK4GAKSTK33
SCHEMBL3539577 0.95 PLK1 (0.48) PLK1TTKPLK4GAKSTK33
SCHEMBL3544764 0.91 PLK1 (0.46) PLK1TTKPLK4GAKSTK33
SCHEMBL1204276 0.89 PRKDC (0.46) PLK1TTKPLK4GAKSTK33
SCHEMBL4076255 0.88 PLK1 (0.41) PLK1TTKPLK4GAKSTK33
SCHEMBL6844375 0.87 PRKDC (0.45) PLK1TTKPLK4GAKSTK33
SCHEMBL4080136 0.86 PLK1 (0.42) PLK1TTKPLK4GAKSTK33
SCHEMBL10098695 0.85 PLK1 (0.40) PLK1TTKPLK4GAKSTK33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US 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-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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PLK1 847/4885TTK 4453/4885PLK4 2169/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885TTK 220/4885PLK4 6/4885

“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.