SCHEMBL14725154

SCHEMBL14725154

CC(C)N1CCC(CCF)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
HTR4 Q13639 1/20 0.35
ALDH1A1 P00352 1/20 0.32
NCF1 P14598 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL25122685 0.86 HRH3 (0.50) HRH3KCNH2CYP2D6HTR4
SCHEMBL10447140 0.83 HRH3 (0.45) HRH3KCNH2CYP2D6HTR4NCF1
SCHEMBL4374285 0.83 HRH3 (0.45) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL4377486 0.83 HRH3 (0.45) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL31273027 0.82 HRH3 (0.47) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL31272933 0.82 HRH3 (0.47) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL16376649 0.82 HRH3 (0.42) HRH3KCNH2CYP2D6
SCHEMBL178288 0.80 HRH3 (0.46) HRH3KCNH2CYP2D6HTR4
SCHEMBL4385963 0.79 HRH3 (0.46) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL102140 0.78 HRH3 (0.45) HRH3KCNH2CYP2D6HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 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-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 (3 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-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885CYP2D6 419/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885CYP2D6 419/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885CYP2D6 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.