SCHEMBL2268962

SCHEMBL2268962

CSc1nnc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.64
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL15077934 0.81 DPP4 (0.83) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2266047 0.81 DPP4 (0.65) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2265175 0.80 DPP4 (0.62) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2265218 0.79 MAPT (0.72) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2265039 0.76 DPP4 (0.58) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2266395 0.76 DPP4 (0.58) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2265118 0.75 DPP4 (0.60) DPP4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL2268605 0.74 MAPT (0.65) DPP4KDM4EHPGDLMNAALDH1A1
SCHEMBL2266562 0.73 MAPT (0.60) DPP4KDM4EHPGDALDH1A1TDP1
SCHEMBL2264031 0.70 MAPT (0.69) DPP4KDM4EHPGDALDH1A1TDP1

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 DPP4 4092/4885KDM4E 3067/4885HPGD 438/4885

“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.