SCHEMBL17465846

SCHEMBL17465846

CCN1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)c3cnc(NC(C)=O)nc3N4C)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 6/20 0.52
▸ MAP3K7 O43318 5/20 0.52
▸ MAPK14 Q16539 5/20 0.52
▸ MAP3K20 Q9NYL2 2/20 0.52
▸ FES P07332 1/20 0.52
▸ FER P16591 1/20 0.52
▸ TNK2 Q07912 1/20 0.52
▸ BRAF P15056 3/20 0.50
▸ EGFR P00533 2/20 0.50
▸ KDR P35968 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ AURKC Q9UQB9 1/20 0.49
▸ NR2C2 P49116 1/20 0.48

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
SCHEMBL17465844 0.92 EGFR (0.54) MAP4K2MAP3K7MAPK14MAP3K20FES
SCHEMBL17465845 0.91 EGFR (0.57) MAP4K2MAP3K7MAPK14MAP3K20FES
SCHEMBL17465847 0.87 MAP3K7 (0.54) MAP4K2MAP3K7MAPK14MAP3K20FES
SCHEMBL17465849 0.81 EGFR (0.55) MAP4K2MAP3K7MAPK14MAP3K20TNK2
SCHEMBL16980224 0.79 DCLK1 (0.53) MAP4K2TNK2PLK4AURKABRD4
SCHEMBL3139682 0.75 MAP4K2 (0.78) MAP4K2MAP3K7MAPK14MAP3K20TNK2
SCHEMBL16065768 0.74 PLK1 (0.48) MAP4K2TNK2BRAFEGFRKDR
SCHEMBL4869570 0.73 MAPK14 (0.60) MAP4K2MAP3K7MAPK14MAP3K20FES
SCHEMBL3127005 0.73 TNK2 (0.74) MAP4K2FESTNK2BRAFEGFR
SCHEMBL16065769 0.73 STK3 (0.55) MAP4K2TNK2BRAFEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
US-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-05 — — US disclosed
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 — — US disclosed
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 — — US disclosed
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-29 — — US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 — — US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 — — US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 — — US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 — — US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 — — US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 — — 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 (7 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-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAP4K2 61/4885MAP3K7 76/4885MAPK14 305/4885

“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.

Send feedback