SCHEMBL17721092

SCHEMBL17721092

Cc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 11/20 0.57
▸ DCLK1 O15075 10/20 0.56
▸ LRRK2 Q5S007 11/20 0.55
▸ PIK3CD O00329 3/20 0.55
▸ AURKA O14965 3/20 0.55
▸ PIK3C2G O75747 3/20 0.55
▸ PIK3CG P48736 3/20 0.55
▸ AURKB Q96GD4 3/20 0.55
▸ NUAK1 O60285 2/20 0.48
▸ TTR P02766 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ BRD4 O60885 3/20 0.47
▸ GAK O14976 1/20 0.46
▸ TNK2 Q07912 1/20 0.46
▸ TNK1 Q13470 1/20 0.46
▸ DCLK2 Q8N568 1/20 0.46
▸ BRDT Q58F21 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
SCHEMBL19496544 0.85 MAPK7 (0.52) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL10098691 0.84 MAPK7 (0.56) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL10098766 0.84 DCLK1 (0.58) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL22663660 0.83 PIK3CD (0.58) MAPK7LRRK2PIK3CDAURKAPIK3C2G
SCHEMBL17519893 0.79 DCLK1 (0.78) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL17854805 0.78 MAPK7 (0.53) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL19496540 0.78 MAPK7 (0.49) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL29531391 0.78 MAPK7 (0.49) MAPK7DCLK1LRRK2PIK3CDAURKA
SCHEMBL16127516 0.77 TTR (0.75) LRRK2TTRCES1
Hydrochloric Acid SCHEMBL29530065 0.77 MAPK7 (0.48) MAPK7DCLK1LRRK2PIK3CDAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 MAPK7 253/4885DCLK1 453/4885LRRK2 340/4885

“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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