SCHEMBL22650905

SCHEMBL22650905

Brc1ccn2ncc(C3CCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.47
CAMKK1 Q8N5S9 3/20 0.39
CAMKK2 Q96RR4 3/20 0.39
EIF4A3 P38919 1/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDO2 P48775 2/20 0.32
IDO1 P14902 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CREBBP Q92793 2/20 0.31
PIK3CD O00329 3/20 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
SCHEMBL18427900 0.75 CAMKK1 (0.48) CAMKK1CAMKK2KMT2AKDM4E
SCHEMBL22650904 0.71 IRAK4 (0.39) PIK3CACAMKK1CAMKK2CREBBP
SCHEMBL24149172 0.70 PIK3CA (0.44) PIK3CAEIF4A3TYK2PIK3CDPIK3CB
SCHEMBL29026988 0.70 PIK3CA (0.40) PIK3CAEIF4A3TYK2PIK3CDPIK3CB
SCHEMBL15951734 0.70 PIK3CA (0.36) PIK3CAEIF4A3TYK2PIK3CDPIK3CB
SCHEMBL24338888 0.70 CSNK2A1 (0.34) PIK3CACAMKK1CAMKK2DRD4DRD3
SCHEMBL29241277 0.69 CAMKK1 (0.43) CAMKK1CAMKK2CREBBP
SCHEMBL15951780 0.68 PIK3CA (0.43) PIK3CAKDM4EDRD4DRD3PIK3CD
SCHEMBL30478898 0.68 JAK2 (0.42) PIK3CACAMKK1CAMKK2JAK2JAK1
SCHEMBL25332363 0.68 NOS3 (0.36) PIK3CA

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 288/4885CAMKK1 830/4885CAMKK2 1058/4885

“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.