SCHEMBL21439870

SCHEMBL21439870

Cn1nc(-c2ccc(N)cc2Cl)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.53
PIK3CA P42336 12/20 0.53
PIK3CB P42338 12/20 0.53
PIK3CG P48736 12/20 0.53
PRKDC P78527 12/20 0.53
ABL1 P00519 10/20 0.52
SRC P12931 10/20 0.52
EGFR P00533 9/20 0.52
HCK P08631 9/20 0.52
MTOR P42345 9/20 0.52
EPHB4 P54760 9/20 0.52
KDR P35968 8/20 0.52
PI4KB Q9UBF8 2/20 0.51
NUDT14 O95848 1/20 0.48
NUDT5 Q9UKK9 1/20 0.48
RET P07949 3/20 0.47
PDE2A O00408 2/20 0.44

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
SCHEMBL31165921 1.00 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31165915 0.84 PIK3CB (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21436351 0.84 PIK3CB (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4273073 0.81 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130525 0.80 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129875 0.78 FGFR1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30782445 0.77 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12366 0.77 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21436859 0.76 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30320627 0.76 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 EP disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 US disclosed
EP-3774797-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF Merck Patent GmbH (DE) 2021-02-17 EP disclosed
CN-112236429-A Heteroaryl compounds as type II IRAK inhibitors and uses thereof 默克专利有限公司 2021-01-15 CN disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 WO disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 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 (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-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PIK3CD 145/4885PIK3CA 142/4885PIK3CB 119/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 PIK3CD 240/4885PIK3CA 180/4885PIK3CB 200/4885

“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.