SCHEMBL14633554

SCHEMBL14633554

CCOC(=O)c1cnc(SC)nc1C(=O)c1cccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
SYK P43405 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL14633125 0.84 ALDH1A1 (0.60) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14632801 0.82 ALDH1A1 (0.57) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633453 0.82 ALDH1A1 (0.60) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633765 0.81 ALDH1A1 (0.54) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633635 0.81 ALDH1A1 (0.64) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633094 0.80 TDP1 (0.69) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633016 0.80 MAPT (0.54) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633122 0.80 ALDH1A1 (0.53) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL5808541 0.80 MEN1 (0.58) MAPTHPGDALDH1A1TDP1POLB
SCHEMBL14633468 0.80 MEN1 (0.55) MAPTHPGDALDH1A1TDP1POLB

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-9051327-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2015-06-09 US disclosed
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-10-02 US disclosed
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 US disclosed
WO-2013013031-A1 PYRIDAZINO [4, 5 -D] PYRIMIDIN- (6H) -ONE INHIBITORS OF WEE - 1 KINASE ABBVIE INC. (US) 2013-01-24 WO disclosed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 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 (2 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-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2978/4885HPGD 1455/4885ALDH1A1 1308/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2978/4885HPGD 1455/4885ALDH1A1 1308/4885

“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.