SCHEMBL14632813

SCHEMBL14632813

CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccc5)nc(-c5ccccc5F)c4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.54
▸ CCND1 P24385 1/20 0.54
▸ CCND2 P30279 1/20 0.54
▸ CCND3 P30281 1/20 0.54
▸ WEE1 P30291 11/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ JAK3 P52333 1/20 0.51
▸ EGFR P00533 2/20 0.50
▸ CSF1R P07333 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ FGFR4 P22455 1/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ TNK2 Q07912 1/20 0.48

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
SCHEMBL14633257 0.90 WEE1 (0.53) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14633618 0.89 JAK3 (0.61) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14633293 0.89 WEE1 (0.58) WEE1CYP3A4KCNH2FGFR4ALK
SCHEMBL14633233 0.89 WEE1 (0.63) WEE1CYP3A4KCNH2FGFR4ALK
SCHEMBL14633179 0.88 WEE1 (0.53) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14633195 0.86 JAK3 (0.55) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14632933 0.86 WEE1 (0.52) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14633032 0.86 PAK4 (0.56) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14633308 0.86 JAK3 (0.53) CDK4CCND1CCND2CCND3WEE1
SCHEMBL14632897 0.86 CDK4 (0.48) CDK4CCND1CCND2CCND3WEE1

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 CDK4 31/4885CCND1 291/4885CCND2 396/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 CDK4 31/4885CCND1 291/4885CCND2 396/4885

“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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