SCHEMBL10098779

SCHEMBL10098779

CN1C(=O)C[C@@H]2CCCN2c2nc(Nc3ccc(N4CCC(O)CC4)cn3)ncc21

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.81
PLK1 P53350 5/20 0.81
CDK4 P11802 6/20 0.59
CCND1 P24385 4/20 0.59
CDK6 Q00534 3/20 0.59
PLK4 O00444 1/20 0.57
GAK O14976 1/20 0.57
STK33 Q9BYT3 1/20 0.57
PLK3 Q9H4B4 1/20 0.57
MAPK7 Q13164 1/20 0.57
CCND2 P30279 2/20 0.52
CCND3 P30281 2/20 0.52
DCLK1 O15075 2/20 0.49
LRRK2 Q5S007 2/20 0.49
PTK2 Q05397 1/20 0.48
TNK2 Q07912 1/20 0.46

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
SCHEMBL619080 1.00 TTK (0.81) TTKPLK1CDK4CCND1CDK6
SCHEMBL616945 0.90 TTK (1.00) TTKPLK1CDK4CCND1CDK6
SCHEMBL10098801 0.82 TTK (0.83) TTKPLK1PLK4GAKSTK33
SCHEMBL10098787 0.82 TTK (0.83) TTKPLK1PLK4GAKSTK33
SCHEMBL619365 0.82 TTK (0.83) TTKPLK1PLK4GAKSTK33
SCHEMBL617409 0.82 TTK (0.83) TTKPLK1PLK4GAKSTK33
SCHEMBL19105978 0.82 TTK (0.74) TTKPLK1CDK4CCND1CDK6
SCHEMBL616160 0.81 TTK (1.00) TTKPLK1CDK4CCND1CDK6
SCHEMBL619287 0.79 TTK (0.73) TTKPLK1CDK4CCND1CDK6
SCHEMBL619501 0.77 MAPK7 (0.83) TTKPLK1PLK4GAKMAPK7

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 TTK 49/4885PLK1 109/4885CDK4 398/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 TTK 41/4885PLK1 110/4885CDK4 355/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 TTK 41/4885PLK1 110/4885CDK4 355/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 TTK 66/4885PLK1 117/4885CDK4 418/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 TTK 41/4885PLK1 110/4885CDK4 355/4885

“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.