SCHEMBL3056879

SCHEMBL3056879

FC(F)(F)c1nnc2n1N=C(N1CCN(c3ccc(OCCN4CCNCC4)cc3)CC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.58
KCNH2 Q12809 2/20 0.51
LTA4H P09960 2/20 0.40
DRD2 P14416 6/20 0.38
HTR1A P08908 4/20 0.38
HTR2A P28223 4/20 0.38
DRD3 P35462 4/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 1/20 0.36
HRH1 P35367 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL3077069 0.95 AR (0.53) ARKCNH2DRD2HTR1AHTR2A
SCHEMBL3077124 0.88 AR (0.75) ARKCNH2LTA4HDRD2HTR1A
SCHEMBL3080345 0.85 AR (0.60) ARKCNH2DRD2HTR1AHTR2A
SCHEMBL3069850 0.85 AR (0.79) ARKCNH2DRD2HTR2ADRD3
SCHEMBL3075089 0.83 AR (0.69) ARKCNH2DRD2HTR1AHTR2A
SCHEMBL3071239 0.83 AR (0.67) ARKCNH2ALDH1A1MAPT
SCHEMBL3711734 0.83 AR (0.56) ARKCNH2DRD2HTR1AHTR2A
SCHEMBL3073107 0.82 AR (0.51) ARKCNH2DRD2HTR1AHTR2A
SCHEMBL3071469 0.82 AR (0.51) ARKCNH2LTA4HKDM4EALDH1A1
SCHEMBL3061969 0.81 AR (0.52) ARKCNH2DRD2HTR1AHTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 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 (2 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885LTA4H 2733/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885LTA4H 2529/4885

“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.