SCHEMBL14717045

SCHEMBL14717045

CCOC(=O)c1c(C=O)nc(-c2ccccc2)nc1SC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 3/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 7/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
PRNP P04156 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL29635235 1.00 TSHR (0.54) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL15931704 0.86 TSHR (0.58) TSHRKDM4ERAB9ATP53ALDH1A1
SCHEMBL29635245 0.85 KDM4E (0.68) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL14716724 0.85 KDM4E (0.68) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL31671076 0.84 TSHR (0.58) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL31156476 0.84 TSHR (0.58) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL31156517 0.83 TSHR (0.57) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL31156510 0.83 TSHR (0.57) TSHRKDM4ERAB9ATP53HSD17B10
SCHEMBL20661558 0.77 SMN1; SMN2 (0.43) TSHRKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL10073336 0.75 KDM4E (0.81) TSHRKDM4ERAB9ATP53HSD17B10

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 35 patents — showing the first 20. 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-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-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN disclosed
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
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-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof Asan BioSciences, LLC (US) 2020-05-12 US disclosed
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2019-03-28 US disclosed
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
EP-2748166-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Endo Pharmaceuticals Inc. (US) 2014-07-02 EP disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 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
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 US disclosed
WO-2013028818-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2013-02-28 WO disclosed
WO-2013028818-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2013-02-28 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 (5 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-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TSHR 2099/4885KDM4E 1625/4885RAB9A 3859/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TSHR 2099/4885KDM4E 1625/4885RAB9A 3859/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TSHR 2099/4885KDM4E 1625/4885RAB9A 3859/4885
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS TSHR 2099/4885KDM4E 1625/4885RAB9A 3859/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS TSHR 2099/4885KDM4E 1625/4885RAB9A 3859/4885

“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.