SCHEMBL203549

SCHEMBL203549

CCc1cc(N)cc(C(F)(F)F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.46
GLA P06280 10/20 0.46
ALDH1A1 P00352 9/20 0.46
GAA P10253 9/20 0.46
HPGD P15428 8/20 0.46
TP53 P04637 1/20 0.44
AR P10275 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
BRCA1 P38398 1/20 0.36
NR1H2 P55055 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3118151 0.82 ALDH1A1 (0.46) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL1438722 0.77 KDM4E (0.47) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL12144648 0.75 ALDH1A1 (0.41) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL20186996 0.75 KDM4E (0.43) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL26885189 0.75 AR (0.40) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL12569824 0.75 KDM4E (0.35) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL25991271 0.75 KDM4E (0.43) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL12144654 0.74 GAA (0.41) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL16232927 0.70 ALDH1A1 (0.38) GLAALDH1A1GAAARPOLB
SCHEMBL27414564 0.70 ALDH1A1 (0.46) KDM4EGLAALDH1A1GAAHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803916-B Hete rocyclic derivatives as SARM (SARMS) 詹森药业有限公司 2017-08-11 CN disclosed
CN-104803916-A Novel heterocycle derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV 2015-07-29 CN disclosed
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
US-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
CN-101103003-A Novel heterocyclic derivatives as Selective Androgen Receptor Modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2008-01-09 CN disclosed
EP-1817292-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-15 EP disclosed
US-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
WO-2006055184-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-26 WO 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 (3 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-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 KDM4E 1504/4885GLA 3199/4885ALDH1A1 1240/4885
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 KDM4E 1504/4885GLA 3199/4885ALDH1A1 1240/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 KDM4E 1504/4885GLA 3199/4885ALDH1A1 1240/4885

“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.