SCHEMBL17721077

SCHEMBL17721077

CCOc1cc(N2CCC(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.87
DCLK1 O15075 16/20 0.87
MAPK7 Q13164 15/20 0.87
BRD4 O60885 4/20 0.87
TNK2 Q07912 3/20 0.87
TNK1 Q13470 2/20 0.87
DCLK2 Q8N568 2/20 0.87
PLK4 O00444 1/20 0.87
PI4KA P42356 1/20 0.87
RPS6KA3 P51812 1/20 0.87
PTK2 Q05397 1/20 0.87
RPS6KA2 Q15349 1/20 0.87
RPS6KA1 Q15418 1/20 0.87
BRDT Q58F21 1/20 0.87
PI4KB Q9UBF8 1/20 0.87
GAK O14976 1/20 0.73

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
SCHEMBL24334757 0.93 LRRK2 (0.76) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL619295 0.93 LRRK2 (1.00) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL29356878 0.93 LRRK2 (1.00) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL29372331 0.93 LRRK2 (1.00) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL17721080 0.93 LRRK2 (0.86) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL24334136 0.92 LRRK2 (0.83) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL24307410 0.91 LRRK2 (0.84) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL17721079 0.91 LRRK2 (0.87) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL24334887 0.90 LRRK2 (0.83) LRRK2DCLK1MAPK7BRD4TNK2
SCHEMBL29582720 0.90 LRRK2 (0.83) LRRK2DCLK1MAPK7BRD4TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022078350-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 WO disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20170114323-A1 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-04-27 US disclosed
US-20170008895-A1 USES OF DIAZEPANE DERIVATIVES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-12 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

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

For each of this compound's patents that has machine-readable text (3 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-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LRRK2 1732/4885DCLK1 1082/4885MAPK7 688/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885DCLK1 453/4885MAPK7 253/4885
US-20170008895-A1 USES OF DIAZEPANE DERIVATIVES BRDT, BRD4, BRD3 LRRK2 1196/4885DCLK1 3728/4885MAPK7 1861/4885

“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.