SCHEMBL10098778

SCHEMBL10098778

O=C1Nc2cnc(Cl)nc2Sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ JUN P05412 4/20 0.52
▸ NFKB1 P19838 4/20 0.52
▸ NFKB2 Q00653 4/20 0.52
▸ RELA Q04206 4/20 0.52
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FER P16591 1/20 0.37

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
SCHEMBL17059746 0.76 L3MBTL1 (0.58) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL10098692 0.76 MAPT (0.41) ALDH1A1ALOX15MAPK10HSD17B10JUN
SCHEMBL9178250 0.74 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL16061960 0.70 JUN (0.54) ALDH1A1L3MBTL1JUNNFKB1NFKB2
SCHEMBL14043812 0.70 ALDH1A1 (0.59) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL8988 0.70 L3MBTL1 (1.00) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL19984763 0.68 L3MBTL1 (0.68) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL9100460 0.68 ALDH1A1 (0.78) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL2113682 0.68 L3MBTL1 (0.68) ALDH1A1ALOX15MAPK10HSD17B10L3MBTL1
SCHEMBL10098791 0.68 TNK2 (0.56) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255047-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND USES IN TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2021-06-30 — — EP disclosed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 — — EP disclosed
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 — — US disclosed
EP-2379559-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2017-10-25 — — EP 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
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 — — WO 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 ALDH1A1 4365/4885ALOX15 3008/4885MAPK10 317/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 ALDH1A1 4458/4885ALOX15 3274/4885MAPK10 302/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 ALDH1A1 4458/4885ALOX15 3274/4885MAPK10 302/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 ALDH1A1 4201/4885ALOX15 3271/4885MAPK10 292/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 ALDH1A1 4458/4885ALOX15 3274/4885MAPK10 302/4885

“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