SCHEMBL22650704

SCHEMBL22650704

Brc1ccn2ncc(C3=CCOCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.36
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
PIK3CD O00329 9/20 0.33
PIK3CB P42338 6/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HTR1D P28221 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SCN9A Q15858 1/20 0.32
PIK3CG P48736 2/20 0.32
EIF4A3 P38919 1/20 0.31
MAPK14 Q16539 1/20 0.31
DYRK1A Q13627 1/20 0.31
RIPK2 O43353 1/20 0.31
SERPINA2 P20848 1/20 0.31
MTOR P42345 1/20 0.31
PRKDC P78527 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL22650903 0.80 KDR (0.42) PIK3CACDK2PIK3CDPIK3CBEIF4A3
SCHEMBL22650697 0.77 MAPK1 (0.41) CDC7CDK2HTR1DPDE3BPDE3A
SCHEMBL22650698 0.73 MAPK14 (0.35) PIK3CACDC7CDK2PIK3CDPIK3CB
SCHEMBL31488065 0.68 PDK4 (0.44) SCN9A
SCHEMBL967126 0.67 MAPK14 (0.38) PIK3CAPIK3CDGPBAR1PDE3BPDE3A
SCHEMBL25200670 0.67 AXL (0.44) PIK3CACDK2PIK3CDPIK3CB
SCHEMBL31488196 0.67 PDK4 (0.49) SCN9A
SCHEMBL22820581 0.65 HTT (0.41) PIK3CACDC7CDK2PIK3CDPIK3CB
SCHEMBL3074661 0.65 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL24147819 0.64 PIK3CA (0.43) PIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 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 (1 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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 PIK3CA 288/4885CDC7 53/4885CDK2 11/4885

“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.