SCHEMBL14725145

SCHEMBL14725145

CC(C)N1CCC2(CC1)CC2C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.54
FFAR4 Q5NUL3 2/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 3/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL23513640 0.89 HRH3 (0.45) HRH3FFAR4CYP2D6LMNAHPGD
SCHEMBL20796091 0.87 HRH3 (0.44) HRH3FFAR4
SCHEMBL14725158 0.85 HRH3 (0.54) HRH3CYP2D6LMNAHPGDKCNH2
SCHEMBL22102133 0.84 HRH3 (0.43) HRH3FFAR4CYP2D6KCNH2
SCHEMBL23513596 0.80 HRH3 (0.40) HRH3FFAR4CYP2D6LMNAHPGD
SCHEMBL21645635 0.79 HRH3 (0.45) HRH3FFAR4KMT2AKCNH2MAPT
SCHEMBL14728643 0.79 HRH3 (0.45) HRH3FFAR4KMT2AKCNH2MAPT
SCHEMBL14725161 0.77 HRH3 (0.47) HRH3CYP2D6LMNAHPGDKMT2A
SCHEMBL30803106 0.76 SMN1; SMN2 (0.41) HRH3CYP2D6HPGDKMT2AKCNH2
SCHEMBL20985252 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof Asan BioSciences, LLC (US) 2020-05-12 US disclosed
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 US disclosed
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 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 (8 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP HRH3 2015/4885FFAR4 3714/4885CYP2D6 419/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885FFAR4 3714/4885CYP2D6 419/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885FFAR4 3728/4885CYP2D6 133/4885

“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.