SCHEMBL10098776

SCHEMBL10098776

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@@H]1CCC[C@@H]1C(=O)N2C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.83
PLK1 P53350 16/20 0.83
BRDT Q58F21 10/20 0.83
PLK3 Q9H4B4 4/20 0.80
ALK Q9UM73 4/20 0.80
PRKD3 O94806 3/20 0.80
CLK2 P49760 3/20 0.80
PTK2 Q05397 3/20 0.80
CAMK2G Q13555 3/20 0.80
CAMK2D Q13557 3/20 0.80
PRKD2 Q9BZL6 3/20 0.80
CSNK1G1 Q9HCP0 3/20 0.80
CSNK1G3 Q9Y6M4 3/20 0.80
TAF1 P21675 3/20 0.80
DAPK3 O43293 2/20 0.80
CHEK2 O96017 2/20 0.80
EGFR P00533 2/20 0.80
FES P07332 2/20 0.80
PHKG2 P15735 2/20 0.80
CSNK1D P48730 2/20 0.80

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
SCHEMBL619179 1.00 BRD4 (0.83) BRD4PLK1BRDTPLK3ALK
SCHEMBL10098799 0.93 PLK1 (0.75) BRD4PLK1BRDTPLK3ALK
SCHEMBL617519 0.93 PLK1 (0.75) BRD4PLK1BRDTPLK3ALK
SCHEMBL13611485 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL2397131 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL4299436 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL619364 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL618641 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL10098781 0.90 PLK1 (0.69) BRD4PLK1BRDTPLK3ALK
SCHEMBL4076050 0.89 PLK1 (0.86) BRD4PLK1BRDTPLK3ALK

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
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 US disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-12-01 US disclosed
US-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 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 (5 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-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 BRD4 555/4885PLK1 109/4885BRDT 783/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 644/4885PLK1 117/4885BRDT 766/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885

“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.