SCHEMBL14725155

SCHEMBL14725155

CCCN(CCO)C(=O)CC1CCN(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ OPRM1 P35372 3/20 0.31

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
SCHEMBL18930361 0.94 HRH3 (0.35) HRH3KCNH2ALDH1A1SYKOPRM1
SCHEMBL15721224 0.81 NCF1 (0.38) TLR7SYKOPRM1
SCHEMBL20795837 0.78 EPHX1 (0.43) KCNH2SYKOPRM1
SCHEMBL13212863 0.76 HRH3 (0.38) HRH3KCNH2ALDH1A1OPRM1
SCHEMBL25513773 0.75 PIK3CA (0.38) HRH3KCNH2OPRM1
SCHEMBL24671069 0.73 HRH3 (0.37) HRH3KCNH2ALDH1A1OPRM1
SCHEMBL14725147 0.70 HRH3 (0.41) HRH3KCNH2ALDH1A1
SCHEMBL1261174 0.70 HRH3 (0.44) HRH3KCNH2ALDH1A1
SCHEMBL2603283 0.70 POLB (0.38) HRH3KCNH2
SCHEMBL20348267 0.70 HRH3 (0.40) HRH3KCNH2ALDH1A1

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-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 (4 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-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TLR9 238/4885TLR8 135/4885TLR7 83/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP TLR9 2337/4885TLR8 4074/4885TLR7 1176/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TLR9 238/4885TLR8 135/4885TLR7 83/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TLR9 238/4885TLR8 135/4885TLR7 83/4885

“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.

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