SCHEMBL22650904

SCHEMBL22650904

CC1(C)OB(c2ccn3ncc(C4CCCC4)c3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
HIF1A Q16665 1/20 0.36
CAMKK1 Q8N5S9 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
PIK3CA P42336 2/20 0.34
FFAR1 O14842 1/20 0.33
CREBBP Q92793 2/20 0.31
LPL P06858 3/20 0.31
LIPG Q9Y5X9 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
SCHEMBL29548599 0.85 IRAK4 (0.35) IRAK4PIK3CA
SCHEMBL31394806 0.79 IRAK4 (0.46) IRAK4FFAR1LPLLIPG
SCHEMBL31387118 0.78 IRAK4 (0.43) IRAK4FFAR1LPLLIPG
SCHEMBL22551943 0.75 IRAK4 (0.41) IRAK4HIF1AFFAR1LPLLIPG
SCHEMBL22650739 0.75 IRAK4 (0.41) IRAK4FFAR1LPLLIPG
SCHEMBL29425316 0.73 IRAK4 (0.40) IRAK4HIF1AFFAR1LPLLIPG
SCHEMBL26352649 0.73 IRAK4 (0.40) IRAK4HIF1AFFAR1
SCHEMBL25335146 0.72 TGFBR1 (0.44) IRAK4
SCHEMBL22650905 0.71 PIK3CA (0.47) CAMKK1CAMKK2PIK3CACREBBP
SCHEMBL31383607 0.71 PIK3CA (0.36) IRAK4PIK3CA

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 IRAK4 2748/4885HIF1A 2015/4885CAMKK1 830/4885

“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.