SCHEMBL17465849

SCHEMBL17465849

CCN1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)Nc3cnc(NC5CC5)nc3N4C)cc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.55
▸ BRAF P15056 5/20 0.55
▸ ABL1 P00519 3/20 0.53
▸ BCR P11274 2/20 0.51
▸ MAP4K2 Q12851 4/20 0.49
▸ TNK2 Q07912 2/20 0.49
▸ DDR1 Q08345 2/20 0.48
▸ MAP3K7 O43318 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ MAP3K20 Q9NYL2 2/20 0.48
▸ RET P07949 1/20 0.46
▸ KDR P35968 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
SCHEMBL17465845 0.90 EGFR (0.57) EGFRBRAFABL1BCRMAP4K2
SCHEMBL17465846 0.81 MAP4K2 (0.52) EGFRBRAFMAP4K2TNK2MAP3K7
SCHEMBL17465844 0.79 EGFR (0.54) EGFRBRAFABL1BCRMAP4K2
SCHEMBL17465847 0.78 MAP3K7 (0.54) EGFRBRAFABL1MAP4K2MAP3K7
SCHEMBL16065802 0.78 TNK2 (0.58) TNK2
SCHEMBL3139682 0.73 MAP4K2 (0.78) EGFRBRAFABL1MAP4K2TNK2
SCHEMBL17469527 0.72 CCNK (0.46) TNK2
SCHEMBL4869570 0.72 MAPK14 (0.60) EGFRBRAFABL1BCRMAP4K2
SCHEMBL3139822 0.71 MAPT (0.53) EGFRBRAFABL1MAP4K2TNK2
SCHEMBL13878785 0.71 EGFR (0.67) EGFRBRAF

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 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 EGFR 662/4885BRAF 353/4885ABL1 140/4885

“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