SCHEMBL14633087

SCHEMBL14633087

O=C1CCCN1c1ccc(-c2nn(-c3c(Cl)cccc3Cl)c(=O)c3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 16/20 0.54
▸ CYP3A4 P08684 1/20 0.48
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ CCND2 P30279 2/20 0.44
▸ CCND3 P30281 2/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL14633396 0.91 WEE1 (0.59) WEE1CYP3A4KCNH2
SCHEMBL14633459 0.90 WEE1 (0.48) WEE1CYP3A4KCNH2MAPK8MAPK9
SCHEMBL14633640 0.87 WEE1 (0.53) WEE1
SCHEMBL14633393 0.84 WEE1 (0.56) WEE1CYP3A4CDK4KCNH2
SCHEMBL14633352 0.83 WEE1 (0.59) WEE1CYP3A4CDK4CCND1CCND2
SCHEMBL14633683 0.83 WEE1 (0.56) WEE1CYP3A4KCNH2
SCHEMBL14632865 0.83 WEE1 (0.57) WEE1CYP3A4CDK4CCND1CCND2
SCHEMBL14633100 0.82 WEE1 (0.58) WEE1CYP3A4CDK4CCND1CCND2
SCHEMBL14633067 0.82 WEE1 (0.58) WEE1CYP3A4CDK4CCND1CCND2
SCHEMBL14633407 0.82 WEE1 (0.60) WEE1CYP3A4CDK4CCND1CCND2

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-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 — — US claimed
WO-2013013031-A1 PYRIDAZINO [4, 5 -D] PYRIMIDIN- (6H) -ONE INHIBITORS OF WEE - 1 KINASE ABBVIE INC. (US) 2013-01-24 — — WO 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 1925/4885CDK4 31/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 WEE1 1/4885CYP3A4 1925/4885CDK4 31/4885

“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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