SCHEMBL20437892

SCHEMBL20437892

Cc1noc(-c2ccc(C(C)C)nc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
GABRA5 P31644 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
BCHE P06276 1/20 0.40
AOC3 Q16853 2/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CG P48736 3/20 0.38
MTOR P42345 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PIK3CB P42338 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL13659753 0.83 PIM1 (0.41) ACHES1PR1S1PR3AOC3
SCHEMBL12490255 0.80 ACHE (0.58) ACHEGABRA5LMNATHRBTP53
SCHEMBL30515501 0.77 ACHE (0.54) ACHEGABRA5LMNATHRBTP53
SCHEMBL20489410 0.77 ACHE (0.64) ACHEGABRA5LMNATHRBTP53
SCHEMBL16973677 0.77 ACHE (0.54) ACHEGABRA5LMNATHRBTP53
SCHEMBL25428225 0.77 ACHE (0.54) ACHEGABRA5LMNATHRBTP53
SCHEMBL13415305 0.76 ACHE (0.80) ACHELMNATHRBTP53MAPT
SCHEMBL14441205 0.76 ACHE (0.68) ACHELMNATHRBTP53MAPT
SCHEMBL22628961 0.74 GABRA5 (0.55) ACHEGABRA5LMNATHRBMAPT
SCHEMBL888893 0.74 CHRNA7 (0.36) TP53MAPTPIK3CDNPC1RAB9A

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
US-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-11 US disclosed
WO-2020081689-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 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 (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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, GDI2 ACHE 704/4885GABRA5 2040/4885LMNA 3274/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 ACHE 4061/4885GABRA5 3202/4885LMNA 963/4885

“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.