SCHEMBL19436609

SCHEMBL19436609

Cc1ccc2c(c1)C(=O)Nc1cnc(Cl)nc1N2C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 17/20 0.51
▸ NUAK1 O60285 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PIK3C2G O75747 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39

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
SCHEMBL10098791 0.84 TNK2 (0.56) TNK2LRRK2
SCHEMBL19457452 0.81 PIK3CD (0.56) NUAK1PIK3CDAURKAPIK3C2GPIK3CG
SCHEMBL30131807 0.81 PIK3CD (0.56) NUAK1PIK3CDAURKAPIK3C2GPIK3CG
SCHEMBL29517238 0.69 PTK2 (0.44) TNK2
SCHEMBL22663660 0.68 PIK3CD (0.58) NUAK1PIK3CDAURKAPIK3C2GPIK3CG
SCHEMBL22658895 0.68 PTK2 (0.43) TNK2
SCHEMBL29517494 0.68 PTK2 (0.43) TNK2
SCHEMBL21938544 0.67 TNK2 (0.33) TNK2
SCHEMBL10098691 0.66 MAPK7 (0.56) TNK2NUAK1PIK3CDAURKAPIK3C2G
SCHEMBL20875242 0.66 PIK3CD (0.59) NUAK1PIK3CDAURKAPIK3C2GPIK3CG

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
EP-3440084-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2022-12-21 — — EP disclosed
EP-3440084-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2022-12-21 — — EP disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 — — US disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 — — US disclosed
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2021-04-13 — — US disclosed
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 — — US disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 — — US disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 — — US disclosed
EP-3440084-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2019-02-13 — — EP disclosed
WO-2017177092-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-12 — — WO disclosed
WO-2017177092-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-12 — — 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 (4 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-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN TNK2 125/4885NUAK1 1455/4885PIK3CD 309/4885
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB TNK2 180/4885NUAK1 394/4885PIK3CD 5/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN TNK2 125/4885NUAK1 1455/4885PIK3CD 309/4885
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS PI4KA, PI4KB, PIK3CA TNK2 125/4885NUAK1 253/4885PIK3CD 6/4885

“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.

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