SCHEMBL14633697

SCHEMBL14633697

CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccc5)nc(-c5ccco5)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.52
▸ WEE1 P30291 9/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CCND1 P24385 2/20 0.51
▸ CCND2 P30279 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CSF1R P07333 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ALK Q9UM73 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ EGFR P00533 2/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.46
▸ LCK P06239 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ BRD4 O60885 1/20 0.45

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
SCHEMBL14633311 0.90 WEE1 (0.53) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14633401 0.90 WEE1 (0.57) JAK3WEE1CYP3A4CCND3KCNH2
SCHEMBL14633618 0.89 JAK3 (0.61) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14632963 0.89 WEE1 (0.63) WEE1CYP3A4KCNH2ALKFGFR4
SCHEMBL14632933 0.85 WEE1 (0.52) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14632813 0.85 CDK4 (0.54) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14633195 0.85 JAK3 (0.55) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14633014 0.85 WEE1 (0.56) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14633348 0.85 WEE1 (0.53) JAK3WEE1CYP3A4CDK4CCND1
SCHEMBL14633320 0.85 JAK3 (0.54) JAK3WEE1CYP3A4CDK4CCND1

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 JAK3 62/4885WEE1 1/4885CYP3A4 1925/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 JAK3 62/4885WEE1 1/4885CYP3A4 1925/4885

“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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