SCHEMBL2269034

SCHEMBL2269034

C[C@@H]1CN(Cc2cccnc2)CCN1c1ccc2nnc(C(F)(F)F)n2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
AR P10275 4/20 0.49
KCNH2 Q12809 3/20 0.49
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
XBP1 P17861 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL2264615 1.00 LMNA (0.50) LMNAARKCNH2HIF1AEPAS1
SCHEMBL12368278 0.89 AR (0.56) ARKCNH2TDP1HTTMAPT
SCHEMBL12368279 0.89 AR (0.56) ARKCNH2TDP1HTTMAPT
SCHEMBL2263743 0.89 AR (0.55) LMNAARKCNH2TDP1HTT
SCHEMBL2263780 0.86 LMNA (0.51) LMNAARKCNH2HIF1AEPAS1
SCHEMBL2268411 0.86 LMNA (0.51) LMNAARKCNH2HIF1AEPAS1
SCHEMBL2265188 0.83 AR (0.70) LMNAARKCNH2TDP1HTT
SCHEMBL2262902 0.83 AR (0.48) ARKCNH2TDP1HTTMAPT
SCHEMBL2267616 0.82 LMNA (0.54) LMNAARKCNH2TDP1HTT
SCHEMBL2264854 0.81 AR (0.52) LMNAARKCNH2HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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 (1 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 LMNA 749/4885AR 1/4885KCNH2 4406/4885

“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.