SCHEMBL3069845

SCHEMBL3069845

Cc1cc(C)n(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.67
BRD4 O60885 14/20 0.44
KCNH2 Q12809 3/20 0.44
CCL2 P13500 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.32
TAF1 P21675 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
TAF1L Q8IZX4 1/20 0.32
CREBBP Q92793 1/20 0.32
BRD9 Q9H8M2 1/20 0.32

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
SCHEMBL24592117 0.83 AR (0.81) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3077124 0.83 AR (0.75) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3068954 0.83 AR (0.72) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3065313 0.82 AR (0.68) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3068574 0.82 AR (0.66) ARBRD4KCNH2CCL2HTR1A
SCHEMBL24592136 0.81 AR (0.68) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3075089 0.81 AR (0.69) ARBRD4KCNH2HTR1ADRD2
SCHEMBL3067169 0.81 AR (0.67) ARBRD4KCNH2CCL2HTR1A
SCHEMBL3071341 0.80 AR (0.66) ARBRD4KCNH2
SCHEMBL3074480 0.80 AR (0.68) ARBRD4KCNH2CCL2HTR1A

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 7 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
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-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 1/4885BRD4 622/4885KCNH2 2070/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885BRD4 628/4885KCNH2 1878/4885

“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.