SCHEMBL3074480

SCHEMBL3074480

CS(=O)(=O)OCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.68
KCNH2 Q12809 3/20 0.44
BRD4 O60885 10/20 0.41
HTR2A P28223 2/20 0.34
GRM2 Q14416 1/20 0.34
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.32
CCL2 P13500 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL3071463 0.86 AR (0.78) ARKCNH2BRD4HTR2ADRD2
SCHEMBL3068954 0.86 AR (0.72) ARKCNH2BRD4HTR2AGRM2
SCHEMBL3074762 0.85 AR (0.72) ARKCNH2BRD4HTR2ADRD2
SCHEMBL3065313 0.85 AR (0.68) ARKCNH2BRD4HTR2AGRM2
SCHEMBL24592136 0.84 AR (0.68) ARKCNH2BRD4HTR2AGRM2
SCHEMBL3066026 0.83 AR (0.73) ARKCNH2BRD4
SCHEMBL24592182 0.83 AR (0.66) ARKCNH2BRD4HTR2AGRM2
SCHEMBL24592117 0.83 AR (0.81) ARKCNH2BRD4HTR2ADRD2
SCHEMBL24592263 0.82 AR (0.65) ARKCNH2BRD4HTR2AGRM2
SCHEMBL3075117 0.82 AR (0.70) ARKCNH2BRD4HRH3

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 2070/4885BRD4 622/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885BRD4 628/4885

“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.