SCHEMBL18925952

SCHEMBL18925952

CC(C)c1ccc(OCCC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
KDM1A O60341 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
DHODH Q02127 1/20 0.44
CHEK2 O96017 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL15000480 0.89 NFE2L2 (0.56) NFE2L2TDP1MEN1KMT2A
SCHEMBL15000389 0.86 NFE2L2 (0.66) NFE2L2MEN1KMT2A
SCHEMBL14725174 0.84 NFE2L2 (0.69) NFE2L2MEN1KMT2A
SCHEMBL10223303 0.84 TDP1 (0.67) TDP1ITGB3ITGA2BKDM1ASLC6A2
SCHEMBL16638703 0.83 KDM4E (0.50) ITGB3ITGA2BMEN1KMT2ASLC6A2
SCHEMBL15651091 0.83 NFE2L2 (0.71) NFE2L2TDP1ITGB3ITGA2BADORA3
SCHEMBL13144645 0.83 TDP1 (0.51) NFE2L2TDP1ITGB3ITGA2BKDM1A
SCHEMBL4326032 0.83 NPY1R (0.50) NFE2L2TDP1ITGB3ITGA2BADORA3
SCHEMBL13335378 0.83 ITGB3 (0.52) NFE2L2TDP1ITGB3ITGA2BADORA3
SCHEMBL13761598 0.80 TDP1 (0.49) NFE2L2TDP1ITGB3ITGA2BMEN1

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 8 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-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2019-03-28 US disclosed
US-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC 2019-03-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 NFE2L2 2209/4885TDP1 2246/4885ITGB3 1915/4885
US-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP NFE2L2 3155/4885TDP1 2009/4885ITGB3 2037/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP NFE2L2 3155/4885TDP1 2009/4885ITGB3 2037/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP NFE2L2 3155/4885TDP1 2009/4885ITGB3 2037/4885
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NFE2L2 2209/4885TDP1 2246/4885ITGB3 1915/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NFE2L2 2209/4885TDP1 2246/4885ITGB3 1915/4885
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS NFE2L2 2209/4885TDP1 2246/4885ITGB3 1915/4885

“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.