SCHEMBL3075644

SCHEMBL3075644

Fc1ccc2[nH]cc(CN3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.65
KCNH2 Q12809 1/20 0.65
MPO P05164 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
HTR1A P08908 10/20 0.43
SLC6A4 P31645 1/20 0.41
HTR7 P34969 4/20 0.41

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
SCHEMBL3080354 0.89 AR (0.61) ARKCNH2L3MBTL1DRD2DRD4
SCHEMBL3077381 0.88 DRD2 (0.55) ARKCNH2DRD2DRD4DRD3
SCHEMBL3066696 0.80 AR (0.68) ARKCNH2
SCHEMBL3077396 0.79 AR (1.00) ARKCNH2DRD2DRD4DRD3
SCHEMBL3068661 0.78 AR (0.77) ARKCNH2L3MBTL1DRD2DRD4
SCHEMBL3067443 0.76 AR (0.67) ARKCNH2DRD2DRD4DRD3
SCHEMBL12084221 0.74 AR (0.81) ARKCNH2L3MBTL1DRD2DRD4
SCHEMBL3079193 0.72 AR (0.70) ARKCNH2
SCHEMBL3081271 0.71 AR (0.72) ARKCNH2
SCHEMBL5198405 0.71 DRD2 (0.71) MPOL3MBTL1DRD2DRD4DRD3

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 11 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 claimed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP claimed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP claimed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US claimed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO claimed
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 2070/4885MPO 4393/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885MPO 4179/4885

“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.