SCHEMBL10098804

SCHEMBL10098804

COc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@@H]1CCC[C@@H]1C(=O)N2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.70
TTK P33981 5/20 0.70
MAPK7 Q13164 6/20 0.63
DCLK1 O15075 5/20 0.63
LRRK2 Q5S007 5/20 0.63
PLK4 O00444 2/20 0.61
GAK O14976 1/20 0.61
STK33 Q9BYT3 1/20 0.61
PLK3 Q9H4B4 1/20 0.61
BRD4 O60885 6/20 0.57
BRDT Q58F21 5/20 0.57
TNK2 Q07912 2/20 0.57
DYRK1A Q13627 1/20 0.56
PI4KA P42356 1/20 0.55
RPS6KA3 P51812 1/20 0.55
PTK2 Q05397 1/20 0.55
TNK1 Q13470 1/20 0.55
RPS6KA2 Q15349 1/20 0.55
RPS6KA1 Q15418 1/20 0.55
DCLK2 Q8N568 1/20 0.55

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
SCHEMBL619395 1.00 PLK1 (0.70) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL10098797 0.92 MAPK7 (0.65) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL618780 0.92 MAPK7 (0.65) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL619160 0.91 PLK1 (0.59) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL10098790 0.91 PLK1 (0.59) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL10098728 0.90 LRRK2 (0.65) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL619272 0.90 LRRK2 (0.65) PLK1TTKMAPK7DCLK1LRRK2
SCHEMBL10098783 0.87 BRD4 (0.73) PLK1TTKMAPK7DCLK1GAK
SCHEMBL616163 0.87 BRD4 (0.73) PLK1TTKMAPK7DCLK1GAK
SCHEMBL10098781 0.84 PLK1 (0.69) PLK1TTKMAPK7DCLK1GAK

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 PLK1 109/4885TTK 49/4885MAPK7 263/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885TTK 41/4885MAPK7 253/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 PLK1 110/4885TTK 41/4885MAPK7 253/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 117/4885TTK 66/4885MAPK7 263/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885TTK 41/4885MAPK7 253/4885

“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.