SCHEMBL3077197

SCHEMBL3077197

CCOC(=O)COc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.67
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
BRD4 O60885 4/20 0.41
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 2/20 0.35
METAP1 P53582 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29767437 0.91 AR (0.68) ARKCNH2BRD4POLBGAA
SCHEMBL3066026 0.90 AR (0.73) ARKCNH2ALDH1A1MAPTBRD4
SCHEMBL3068006 0.89 AR (0.68) ARKCNH2ALDH1A1MAPTBRD4
SCHEMBL3075117 0.89 AR (0.70) ARKCNH2ALDH1A1MAPTBRD4
SCHEMBL3074499 0.86 AR (0.63) ARKCNH2MAPTBRD4TSHR
SCHEMBL3061983 0.85 AR (0.64) ARKCNH2ALDH1A1MAPTBRD4
SCHEMBL3074727 0.84 AR (0.64) ARKCNH2BRD4POLB
SCHEMBL24592136 0.83 AR (0.68) ARKCNH2BRD4
SCHEMBL29767421 0.83 AR (0.65) ARKCNH2ALDH1A1MAPTBRD4
SCHEMBL29767400 0.83 AR (0.59) ARKCNH2BRD4

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 2070/4885ALDH1A1 399/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885ALDH1A1 377/4885

“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.