SCHEMBL3067439

SCHEMBL3067439

FC(F)(F)CCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.70
KCNH2 Q12809 2/20 0.70
BRD4 O60885 16/20 0.68
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.50
CCL2 P13500 1/20 0.49
TAF1 P21675 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
TAF1L Q8IZX4 1/20 0.49
CREBBP Q92793 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL747249 0.90 BRD4 (0.70) ARKCNH2BRD4HTTTDP1
SCHEMBL749450 0.89 AR (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL749053 0.89 BRD4 (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL2266295 0.87 BRD4 (0.69) ARKCNH2BRD4HTTTDP1
SCHEMBL3074460 0.87 BRD4 (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL748466 0.86 BRD4 (0.75) ARKCNH2BRD4HTTTDP1
SCHEMBL3476264 0.86 BRD4 (0.75) ARKCNH2BRD4HTTTDP1
SCHEMBL24592256 0.86 BRD4 (0.69) ARKCNH2BRD4HTTTDP1
SCHEMBL749723 0.86 BRD4 (0.67) ARKCNH2BRD4HTTTDP1
Hydrochloric Acid SCHEMBL748572 0.86 BRD4 (0.74) ARKCNH2BRD4HTTTDP1

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.