SCHEMBL14633348

SCHEMBL14633348

CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccc5)nc(-c5cnn(C)c5)c4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 11/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ JAK3 P52333 2/20 0.52
▸ TTK P33981 1/20 0.52
▸ CDK4 P11802 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ CCND2 P30279 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ ALK Q9UM73 1/20 0.48
▸ MAP4K1 Q92918 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ STAT3 P40763 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
SCHEMBL14633618 0.92 JAK3 (0.61) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14633704 0.90 WEE1 (0.58) WEE1CYP3A4JAK3TTKKCNH2
SCHEMBL14633195 0.89 JAK3 (0.55) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14632978 0.89 WEE1 (0.65) WEE1CYP3A4TTKKCNH2FGFR4
SCHEMBL14633320 0.88 JAK3 (0.54) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14633184 0.87 JAK3 (0.54) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14633308 0.87 JAK3 (0.53) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14633216 0.87 LCK (0.54) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14632838 0.86 JAK3 (0.52) WEE1CYP3A4JAK3CDK4CCND1
SCHEMBL14633252 0.86 WEE1 (0.62) WEE1CYP3A4TTKKCNH2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 — — US claimed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 — — US claimed
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 WEE1 1/4885CYP3A4 1925/4885JAK3 62/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 WEE1 1/4885CYP3A4 1925/4885JAK3 62/4885

“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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