SCHEMBL17809555

SCHEMBL17809555

CN1CCCc2cc(-c3ncn(C)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
WDR5 P61964 1/20 0.45
DRD2 P14416 2/20 0.40
NOTUM Q6P988 1/20 0.40
HTR2A P28223 1/20 0.38
SYK P43405 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
LRRK2 Q5S007 3/20 0.36
KCNH2 Q12809 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
SCHEMBL17806269 0.84 NOTUM (0.42) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809776 0.77 WDR5 (0.53) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17795410 0.74 CREBBP (0.54) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17794936 0.74 WDR5 (0.47) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809574 0.74 ALDH1A1 (0.51) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809777 0.73 CYP11B2 (0.48) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809611 0.72 MEN1 (0.50) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809770 0.72 WDR5 (0.51) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809621 0.72 ALDH1A1 (0.50) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809769 0.72 WDR5 (0.48) ALDH1A1MEN1GAAMAPTHPGD

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 ALDH1A1 1727/4885MEN1 1426/4885GAA 3371/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ALDH1A1 1727/4885MEN1 1426/4885GAA 3371/4885

“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.