SCHEMBL2269653

SCHEMBL2269653

FC(F)c1nnc2ccc(N3CCNCC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CSNK1E P49674 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.43
PIM1 P11309 2/20 0.43
HSD17B10 Q99714 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
BPTF Q12830 1/20 0.42
TSHR P16473 1/20 0.40
PLD1 Q13393 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL2266924 0.80 MAPT (0.50) ALOX15HTTSMN1; SMN2TDP1MAPT
SCHEMBL21434305 0.78 SMN1; SMN2 (0.74) ALOX15HTTSMN1; SMN2TDP1CSNK1E
SCHEMBL2266118 0.77 HTT (0.74) ALOX15HTTSMN1; SMN2TDP1CSNK1E
SCHEMBL2265175 0.77 DPP4 (0.62) ALOX15HTTSMN1; SMN2TDP1MAPT
Hydrochloric Acid SCHEMBL2264414 0.76 HTT (0.72) ALOX15HTTSMN1; SMN2TDP1CSNK1E
SCHEMBL12368135 0.76 DPP4 (0.61) HTTMAPTHPGDKDM4EHSD17B10
SCHEMBL19930478 0.75 HTT (0.59) ALOX15HTTSMN1; SMN2TDP1CSNK1E
SCHEMBL2263234 0.75 AR (0.56) ALOX15HTTSMN1; SMN2TDP1MAPT
SCHEMBL2265755 0.74 HSD17B10 (0.49) ALOX15HTTSMN1; SMN2MAPTHPGD
SCHEMBL2266126 0.73 HTT (0.76) ALOX15HTTSMN1; SMN2TDP1MAPT

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-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
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 ALOX15 1895/4885HTT 3680/4885SMN1; SMN2 3399/4885

“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.