Sugi Predict

Sugi Predict / Compounds / SCHEMBL3670645

SCHEMBL3670645

SCHEMBL3670645

CC1CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCCCC4)c(Cl)c3)ncc2N(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 15/20 0.56
▸ BRD4 O60885 10/20 0.53
▸ TAF1 P21675 2/20 0.52
▸ BRDT Q58F21 7/20 0.51
▸ RAD52 P43351 1/20 0.48
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ NEK4 P51957 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ CAMK2G Q13555 1/20 0.47
▸ CAMK2D Q13557 1/20 0.47
▸ SRPK1 Q96SB4 1/20 0.47
▸ PRKD2 Q9BZL6 1/20 0.47
▸ PLK3 Q9H4B4 1/20 0.47
▸ CSNK1G1 Q9HCP0 1/20 0.47
▸ CSNK1G3 Q9Y6M4 1/20 0.47
▸ PIP4K2A P48426 1/20 0.47

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
SCHEMBL3670017 0.95 PLK1 (0.63) PLK1BRD4TAF1BRDTRAD52
SCHEMBL3666157 0.94 PLK1 (0.53) PLK1BRD4TAF1BRDTRPS6KA3
SCHEMBL3667459 0.92 PLK1 (0.55) PLK1BRD4TAF1BRDTPRKD3
SCHEMBL3668122 0.88 PLK1 (0.46) PLK1BRD4TAF1BRDTRPS6KA3
SCHEMBL3666649 0.88 PLK1 (0.53) PLK1BRD4TAF1BRDTRPS6KA3
SCHEMBL3672321 0.87 PLK1 (0.58) PLK1BRD4TAF1BRDTRAD52
SCHEMBL3666831 0.87 MAPK7 (0.46) PLK1BRD4TAF1RPS6KA3PLK3
SCHEMBL3677066 0.86 PLK1 (0.48) PLK1BRD4TAF1BRDTRPS6KA3
SCHEMBL4080359 0.82 BRD4 (0.77) PLK1BRD4TAF1BRDTRAD52
SCHEMBL4081000 0.81 BRD4 (0.65) PLK1BRD4TAF1BRDTRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885BRD4 123/4885TAF1 3573/4885

“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.