SCHEMBL2267871

SCHEMBL2267871

COc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.56
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.52
AR P10275 2/20 0.47
KCNH2 Q12809 2/20 0.47
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD4 P21917 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 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
SCHEMBL2269115 0.87 MAPT (0.52) ARKCNH2MEN1KMT2ADRD4
SCHEMBL2264960 0.87 SCN5A (0.52) SCN5AALDH1A1ARKCNH2PPARD
SCHEMBL2266443 0.87 AR (0.62) SCN5AARKCNH2KDM4EDRD4
SCHEMBL2267082 0.83 AR (0.65) SCN5AARKCNH2SMN1; SMN2KDM4E
SCHEMBL2266571 0.81 KCNH2 (0.45) SCN5AARKCNH2PPARDPPARA
SCHEMBL2262605 0.79 KDM4E (0.52) SCN5AALDH1A1ARKCNH2SIGMAR1
SCHEMBL2266723 0.79 AR (0.77) ALDH1A1ARKCNH2SIGMAR1KDM4E
SCHEMBL2268859 0.79 ALDH1A1 (0.50) SCN5AALDH1A1ARKCNH2MEN1
SCHEMBL2268455 0.76 AR (0.51) ARKCNH2KDM4EDRD4DRD2
SCHEMBL2265480 0.76 AR (0.71) ALDH1A1ARKCNH2KDM4EMAPT

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 SCN5A 1404/4885ALDH1A1 806/4885PKM 1977/4885

“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.