SCHEMBL749962

SCHEMBL749962

O=C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
ALOX15 P16050 1/20 0.69
MAPT P10636 2/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TP53 P04637 1/20 0.62
XBP1 P17861 1/20 0.62
AR P10275 6/20 0.58
KCNH2 Q12809 5/20 0.58
BRD4 O60885 4/20 0.46
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL18126679 0.85 HTT (0.63) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2266118 0.82 HTT (0.74) HTTTDP1ALOX15MAPTHPGD
SCHEMBL18126711 0.82 HTT (0.74) HTTTDP1ALOX15MAPTHPGD
Hydrochloric Acid SCHEMBL2264414 0.81 HTT (0.72) HTTTDP1ALOX15MAPTHPGD
SCHEMBL23657770 0.80 MAPT (1.00) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2266128 0.80 HTT (0.71) HTTTDP1ALOX15MAPTHPGD
SCHEMBL18126721 0.79 HTT (0.66) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2264866 0.78 MAPT (0.79) HTTTDP1ALOX15MAPTHPGD
SCHEMBL748468 0.77 MAPT (0.77) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2266126 0.77 HTT (0.76) HTTTDP1ALOX15MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 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 (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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 HTT 4358/4885TDP1 3452/4885ALOX15 2943/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 HTT 3680/4885TDP1 3462/4885ALOX15 1895/4885

“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.