SCHEMBL20094197

SCHEMBL20094197

CN1c2ccccc2C(=O)N(CC(F)(F)F)c2cnc(Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 11/20 0.53
▸ LRRK2 Q5S007 11/20 0.53
▸ MAPK7 Q13164 9/20 0.52
▸ BRD4 O60885 4/20 0.47
▸ PIK3CD O00329 3/20 0.39
▸ AURKA O14965 3/20 0.39
▸ PIK3C2G O75747 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL20094162 0.86 MAPK7 (0.51) DCLK1LRRK2MAPK7BRD4PIK3CD
SCHEMBL10098691 0.81 MAPK7 (0.56) DCLK1LRRK2MAPK7BRD4PIK3CD
SCHEMBL20094145 0.76 LRRK2 (0.50) DCLK1LRRK2MAPK7BRD4PIK3CD
SCHEMBL19496544 0.72 MAPK7 (0.52) DCLK1LRRK2MAPK7BRD4PIK3CD
SCHEMBL20094174 0.70 LRRK2 (1.00) DCLK1LRRK2MAPK7BRD4
SCHEMBL15218930 0.70 PSEN1 (0.46) —
SCHEMBL9372896 0.69 ALDH1A1 (0.47) DCLK1LRRK2MAPK7BRD4DRD2
SCHEMBL10098791 0.69 TNK2 (0.56) LRRK2MAPK7
SCHEMBL25357908 0.68 DCLK1 (0.52) DCLK1LRRK2MAPK7BRD4PIK3CD
SCHEMBL30526068 0.68 DCLK1 (0.52) DCLK1LRRK2MAPK7BRD4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3528814-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2024-08-14 — — EP disclosed
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-08 — — US disclosed
US-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
WO-2018075608-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 — — 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 (2 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-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS CAMK1, CAMKK2, DCLK2 DCLK1 7/4885LRRK2 162/4885MAPK7 589/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 DCLK1 7/4885LRRK2 162/4885MAPK7 589/4885

“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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