SCHEMBL14927152

SCHEMBL14927152

COc1ccc(CNc2cnc(-c3cccnc3)c(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
PDE4B Q07343 1/20 0.48
F2 P00734 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2352632 0.85 DYRK1A (0.53) DYRK1ACLK4HCRTR1HCRTR2L3MBTL1
SCHEMBL19198550 0.77 RAB9A (0.69) DYRK1ACLK4L3MBTL1LMNARAB9A
SCHEMBL12902773 0.75 NPC1 (0.61) DYRK1ACLK4L3MBTL1LMNARAB9A
SCHEMBL17177691 0.74 MAPT (0.59) DYRK1ACLK4L3MBTL1LMNARAB9A
SCHEMBL29680778 0.73 MAPT (0.67) RAB9AMAPTNPC1ALDH1A1TSHR
SCHEMBL17544214 0.73 MAPT (0.67) RAB9AMAPTNPC1ALDH1A1TSHR
SCHEMBL12902772 0.72 MAPT (0.57) DYRK1AL3MBTL1LMNARAB9AMAPT
SCHEMBL2908596 0.72 ALDH1A1 (0.69) L3MBTL1RAB9AMAPTNPC1ALDH1A1
SCHEMBL4148712 0.72 ALPL (0.51) DYRK1ACLK4L3MBTL1LMNARAB9A
SCHEMBL26102078 0.72 CYP3A4 (0.58) DYRK1ACLK4L3MBTL1RAB9AMAPT

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
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2016-12-29 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 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 (4 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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 DYRK1A 2965/4885CLK4 3693/4885HCRTR1 1632/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 DYRK1A 2965/4885CLK4 3693/4885HCRTR1 1632/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 DYRK1A 2965/4885CLK4 3693/4885HCRTR1 1632/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 DYRK1A 2965/4885CLK4 3693/4885HCRTR1 1632/4885

“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.