SCHEMBL14728652

SCHEMBL14728652

CN1CCCN(C(C)(C)CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CHKA P35790 2/20 0.36
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8267554 0.91 CYP1A2 (0.41) CYP1A2TDP1PHGDHMGLL
SCHEMBL30920949 0.87
SCHEMBL2590891 0.82 CYP1A2 (0.40) CYP1A2KMT2A
SCHEMBL24702161 0.81 POLB (0.36) CHKAPOLBSIGMAR1
Hydrochloric Acid SCHEMBL29120571 0.78 CYP1A2 (0.38) CYP1A2KMT2A
SCHEMBL1106430 0.75 KDM4E (0.33) CHKAHTTTDP1KMT2ALMNA
SCHEMBL23277743 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL14725163 0.75 SIGMAR1 (0.41) CYP1A2SIGMAR1
SCHEMBL22327631 0.72 KDM4E (0.30) TDP1
SCHEMBL20419439 0.71 KDM4E (0.31) HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 EP disclosed
WO-2017095898-A1 USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 WO 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-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-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CYP1A2 258/4885CHKA 2816/4885HTT 4581/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP CYP1A2 1702/4885CHKA 1148/4885HTT 4805/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CYP1A2 258/4885CHKA 2816/4885HTT 4581/4885

“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.