SCHEMBL22650697

SCHEMBL22650697

CC1(C)OB(c2ccn3ncc(C4=CCOCC4)c3c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HTR1D P28221 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
SCN9A Q15858 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 0.77 PIK3CA (0.36) PDE3BPDE3AHTR1DCDC7CDK2
SCHEMBL31394806 0.73 IRAK4 (0.46) IRAK4
SCHEMBL31387118 0.72 IRAK4 (0.43) IRAK4
SCHEMBL30483016 0.72 LPL (0.49) IRAK4
SCHEMBL16610635 0.70 MAPK1 (0.57) MAPK1HTR1D
SCHEMBL22650739 0.70 IRAK4 (0.41) IRAK4
SCHEMBL22551943 0.70 IRAK4 (0.41) IRAK4
SCHEMBL23484478 0.70 MAPK1 (0.50) MAPK1HTR1D
SCHEMBL22650904 0.70 IRAK4 (0.39) IRAK4
SCHEMBL30748763 0.70 MAPK1 (0.53) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 148/4885IRAK4 2748/4885PDE3B 2632/4885

“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.