SCHEMBL2559554

SCHEMBL2559554

CSc1ncc(C=O)c(NC2CCCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GABBR2 O75899 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
MERTK Q12866 1/20 0.43
ADORA1 P30542 2/20 0.39
CSNK2B P67870 1/20 0.39
JAK2 O60674 5/20 0.38
JAK1 P23458 4/20 0.38
JAK3 P52333 1/20 0.38
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4712427 1.00 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL574174 0.99 KMT2A (0.51) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL2553480 0.97 KMT2A (0.49) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL3535605 0.93 MERTK (0.48) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22860490 0.88 MERTK (0.45) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL29507782 0.88 MERTK (0.45) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16416502 0.86 MERTK (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4154549 0.86 MERTK (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL19857398 0.86 MAPK8 (0.45) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL30597066 0.85 MERTK (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
CN-114394966-A Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2022-04-26 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 EP disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 US disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 US disclosed
US-10233188-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2019-03-19 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2018033815-A1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER INC. (US) 2018-02-22 WO disclosed
WO-2018033815-A1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER INC. (US) 2018-02-22 WO disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO 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 (5 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-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 KMT2A 298/4885MEN1 1336/4885GABBR2 4636/4885
US-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 KMT2A 292/4885MEN1 1282/4885GABBR2 4688/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 KMT2A 298/4885MEN1 1336/4885GABBR2 4636/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 KMT2A 298/4885MEN1 1336/4885GABBR2 4636/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 KMT2A 298/4885MEN1 1336/4885GABBR2 4636/4885

“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.