SCHEMBL748865

SCHEMBL748865

Oc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALOX15 P16050 1/20 0.59
AR P10275 7/20 0.59
KCNH2 Q12809 6/20 0.59
BRD4 O60885 5/20 0.59
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
XBP1 P17861 1/20 0.54
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL2266350 0.88 HTT (0.62) HTTTDP1ALOX15ARKCNH2
SCHEMBL12368262 0.88 MAPT (0.70) HTTTDP1ALOX15ARKCNH2
SCHEMBL2262571 0.87 AR (0.60) HTTTDP1ALOX15ARKCNH2
SCHEMBL2264757 0.87 HTT (0.57) HTTTDP1ALOX15ARKCNH2
SCHEMBL750560 0.86 HTT (0.56) HTTTDP1ALOX15ARKCNH2
SCHEMBL749053 0.83 BRD4 (0.71) HTTTDP1ALOX15ARKCNH2
SCHEMBL2264747 0.83 BRD4 (0.61) HTTTDP1ALOX15ARKCNH2
SCHEMBL2266578 0.83 HTT (0.58) HTTTDP1ALOX15ARKCNH2
SCHEMBL748468 0.83 MAPT (0.77) HTTTDP1ALOX15ARKCNH2
SCHEMBL2266128 0.83 HTT (0.71) HTTTDP1ALOX15ARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023649-A1 ANDROGEN RECEPTOR BINDING BIFUNCTIONAL MOLECULES Industrial Technology Research Institute (TW) 2022-07-06 EP disclosed
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-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP 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-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
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 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
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO 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 (4 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA HTT 3881/4885TDP1 3972/4885ALOX15 2943/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA HTT 3790/4885TDP1 3976/4885ALOX15 2499/4885
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.