SCHEMBL17809803

SCHEMBL17809803

CCOc1ccc(-c2ccc3c(c2)CCCN3C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
WDR5 P61964 1/20 0.42
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 5/20 0.39
GPR84 Q9NQS5 1/20 0.39
LRRK2 Q5S007 2/20 0.39
HSP90AA1 P07900 1/20 0.38
USP30 Q70CQ3 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL17809552 0.87 USP30 (0.47) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL17806248 0.84 NOTUM (0.40) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17809777 0.80 CYP11B2 (0.48) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL17809769 0.79 WDR5 (0.48) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL17809561 0.77 MEN1 (0.45) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL19368891 0.77 HRH3 (0.46) CYP11B2CYP11B1GPR84USP30NOTUM
SCHEMBL16014316 0.75 CYP11B2 (0.72) CYP11B2CYP11B1
SCHEMBL17809643 0.74 CHRNA7 (0.46) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL17809611 0.74 MEN1 (0.50) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL17809579 0.74 CYP11B1 (0.62) CYP11B2CYP11B1

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
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
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO 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 MAPT 3833/4885MEN1 1426/4885ALDH1A1 1727/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 MAPT 3833/4885MEN1 1426/4885ALDH1A1 1727/4885

“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.