SCHEMBL14633550

SCHEMBL14633550

Cc1nn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 9/20 0.49
▸ CYP3A4 P08684 2/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ AURKA O14965 1/20 0.47
▸ KCNH2 Q12809 3/20 0.45
▸ CCNA2 P20248 2/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ BRD4 O60885 3/20 0.44
▸ USP2 O75604 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CDK6 Q00534 1/20 0.41

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
SCHEMBL14633423 0.92 WEE1 (0.56) WEE1CYP3A4CDK2AURKAKCNH2
SCHEMBL14633318 0.88 WEE1 (0.54) WEE1CYP3A4CDK2AURKAKCNH2
SCHEMBL14633753 0.86 WEE1 (0.49) WEE1CYP3A4KCNH2BRD4EGFR
SCHEMBL14633692 0.83 WEE1 (0.65) WEE1CYP3A4CDK2KCNH2CCNA2
SCHEMBL14633250 0.83 KCNH2 (0.65) WEE1CYP3A4KCNH2BRD4
SCHEMBL14633209 0.82 NTRK1 (0.57) WEE1CYP3A4CDK2AURKAKCNH2
SCHEMBL14633306 0.81 WEE1 (0.57) WEE1CYP3A4KCNH2BRD4
SCHEMBL14632907 0.81 WEE1 (0.58) WEE1CYP3A4KCNH2
SCHEMBL14633050 0.80 WEE1 (0.58) WEE1CYP3A4KCNH2AXL
SCHEMBL14633130 0.80 WEE1 (0.56) WEE1CYP3A4CDK2KCNH2CCNA2

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 1925/4885CDK2 5/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 WEE1 1/4885CYP3A4 1925/4885CDK2 5/4885

“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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