SCHEMBL2266924

SCHEMBL2266924

Oc1ccc(N2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
PIM1 P11309 2/20 0.43
ALOX15 P16050 1/20 0.43
DPP4 P27487 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 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
SCHEMBL748468 0.81 MAPT (0.77) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2269653 0.80 ALOX15 (0.46) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2265175 0.76 DPP4 (0.62) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL12368135 0.75 DPP4 (0.61) MAPTHPGDKDM4EHSD17B10DPP4
SCHEMBL2263234 0.74 AR (0.56) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2265535 0.74 DPP4 (0.48) MAPTHPGDDPP4SMN1; SMN2NPSR1
SCHEMBL2265755 0.73 HSD17B10 (0.49) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2269330 0.72 PIM1 (0.48) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2269775 0.72 HPGD (0.47) MAPTHPGDKDM4EHSD17B10PIM1
SCHEMBL2266830 0.72 AR (0.51) MAPTHPGDKDM4EHSD17B10PIM1

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 MAPT 2987/4885HPGD 438/4885KDM4E 3067/4885

“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.