SCHEMBL2268859

SCHEMBL2268859

Fc1cccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
AR P10275 4/20 0.47
KCNH2 Q12809 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SCN5A Q14524 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2262605 0.89 KDM4E (0.52) ALDH1A1ARKCNH2SCN5AKDM4E
SCHEMBL2266443 0.87 AR (0.62) ARKCNH2DRD2DRD4DRD3
SCHEMBL2268455 0.86 AR (0.51) ARKCNH2DRD2DRD4DRD3
SCHEMBL2264960 0.82 SCN5A (0.52) ALDH1A1ARKCNH2DRD4SCN5A
SCHEMBL2269115 0.82 MAPT (0.52) MEN1KMT2AARKCNH2DRD2
SCHEMBL2264271 0.80 AR (0.42) KMT2AARKCNH2SMN1; SMN2DRD2
SCHEMBL2266675 0.79 AR (0.77) ALDH1A1MEN1KMT2AHSD17B10AR
SCHEMBL2267871 0.79 SCN5A (0.56) ALDH1A1MEN1KMT2AARKCNH2
SCHEMBL2266571 0.79 KCNH2 (0.45) ARKCNH2DRD2DRD4DRD3
SCHEMBL2267082 0.79 AR (0.65) ARKCNH2SMN1; SMN2DRD2DRD4

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 2 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US 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 ALDH1A1 806/4885MEN1 1150/4885KMT2A 3283/4885

“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.