SCHEMBL17809556

SCHEMBL17809556

CN1CCCc2cc(-c3ccnn3C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.57
PDK2 Q15119 2/20 0.57
PDK3 Q15120 2/20 0.57
PDK4 Q16654 2/20 0.57
WDR5 P61964 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
USP30 Q70CQ3 1/20 0.46
CYP11B2 P19099 1/20 0.45
NOTUM Q6P988 1/20 0.43
OTUD7B Q6GQQ9 3/20 0.42
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL17806355 0.84 PDK1 (0.53) PDK1PDK2PDK3PDK4WDR5
SCHEMBL20288525 0.82 PDK1 (0.69) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL17809621 0.79 ALDH1A1 (0.50) PDK1PDK2PDK3PDK4WDR5
SCHEMBL17809574 0.78 ALDH1A1 (0.51) WDR5MEN1ALDH1A1GAAMAPT
SCHEMBL2365617 0.76 PDK1 (0.45) PDK1PDK2PDK3PDK4USP30
SCHEMBL17795410 0.75 CREBBP (0.54) WDR5MEN1ALDH1A1GAAMAPT
SCHEMBL17809611 0.74 MEN1 (0.50) WDR5MEN1ALDH1A1GAAMAPT
SCHEMBL17809770 0.73 WDR5 (0.51) WDR5MEN1ALDH1A1GAAMAPT
SCHEMBL17809579 0.73 CYP11B1 (0.62) CYP11B2CYP1A2CYP19A1
SCHEMBL17809776 0.72 WDR5 (0.53) WDR5MEN1ALDH1A1GAAMAPT

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 PDK1 395/4885PDK2 1593/4885PDK3 1799/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 PDK1 395/4885PDK2 1593/4885PDK3 1799/4885

“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.