Sugi Predict

Sugi Predict / Compounds / SCHEMBL3066124

SCHEMBL3066124

SCHEMBL3066124

Cn1nccc1CCOc1ccc(N2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.50
▸ KCNH2 Q12809 2/20 0.48
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ DRD2 P14416 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ HRH3 Q9Y5N1 8/20 0.33
▸ HRH1 P35367 4/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ DRD4 P21917 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
SCHEMBL3074491 0.88 AR (0.65) ARKCNH2HDAC1HDAC8HDAC6
SCHEMBL3068251 0.88 AR (0.49) ARKCNH2HDAC1HDAC8HDAC6
SCHEMBL3061969 0.81 AR (0.52) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3071469 0.80 AR (0.51) ARKCNH2
SCHEMBL3056879 0.79 AR (0.58) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3711734 0.79 AR (0.56) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3077069 0.79 AR (0.53) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3073107 0.78 AR (0.51) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3080345 0.78 AR (0.60) ARKCNH2DRD2DRD3HTR1A
SCHEMBL3069850 0.78 AR (0.79) ARKCNH2DRD2DRD3HTR2A

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 12 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
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US claimed
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 — — US 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
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 — — US disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 — — US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US 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 2070/4885HDAC1 471/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885HDAC1 533/4885

“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.