SCHEMBL3069333

SCHEMBL3069333

Oc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.60
KCNH2 Q12809 3/20 0.52
GRM2 Q14416 3/20 0.36
HTR2A P28223 1/20 0.36
ESR2 Q92731 8/20 0.35
BRD4 O60885 1/20 0.33
PRKCZ Q05513 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MLYCD O95822 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
SCHEMBL24592361 0.89 AR (0.57) ARKCNH2GRM2BRD4CYP2C9
SCHEMBL24592309 0.88 AR (0.64) ARKCNH2GRM2BRD4CYP2C9
SCHEMBL3068954 0.84 AR (0.72) ARKCNH2GRM2HTR2ABRD4
SCHEMBL24592106 0.83 AR (0.45) ARKCNH2GRM2HTR2APRKCZ
SCHEMBL3075117 0.82 AR (0.70) ARKCNH2BRD4CYP2C9CYP2C19
SCHEMBL24592290 0.81 AR (0.62) ARKCNH2BRD4
SCHEMBL3066026 0.81 AR (0.73) ARKCNH2BRD4
SCHEMBL24592182 0.81 AR (0.66) ARKCNH2GRM2HTR2ABRD4
SCHEMBL31247266 0.81 AR (0.51) ARKCNH2
SCHEMBL3066724 0.80 AR (0.54) ARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685601-B Androgen receptor binding molecules and uses thereof 财团法人工业技术研究院 2024-10-18 CN disclosed
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-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 2070/4885GRM2 2513/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885GRM2 2274/4885

“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.