SCHEMBL22650903

SCHEMBL22650903

Brc1ccn2ncc(C3=CCCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
PSMB5 P28074 2/20 0.39
PIK3CA P42336 12/20 0.38
PIK3CD O00329 10/20 0.35
PIK3CB P42338 5/20 0.35
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
EIF4A3 P38919 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL22650704 0.80 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBCDK2EIF4A3
SCHEMBL25200670 0.70 AXL (0.44) PIK3CAPIK3CDPIK3CBCDK2
SCHEMBL22650905 0.67 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL24147819 0.67 PIK3CA (0.43) KDRPIK3CAPIK3CDPIK3CB
SCHEMBL24147766 0.67 PIK3CA (0.46) PIK3CAPIK3CDPIK3CB
SCHEMBL3079081 0.67 PIK3CA (0.43) PIK3CAPIK3CDPIK3CB
SCHEMBL24149172 0.66 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL15951734 0.66 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL3074661 0.65 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL20400308 0.65 KDR (0.41) KDRPSMB5CCNE1CDK2

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 KDR 2081/4885PSMB5 2342/4885PIK3CA 288/4885

“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.