SCHEMBL22650489

SCHEMBL22650489

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccn(CC5CCNCC5)n4)n3)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 9/20 0.48
CDK1 P06493 4/20 0.39
CDK4 P11802 4/20 0.39
CCND1 P24385 3/20 0.39
CCNB1 P14635 2/20 0.39
CDK6 Q00534 2/20 0.39
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 1/20 0.36
ACVR1 Q04771 1/20 0.35
CCND3 P30281 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL22650936 0.87 IKBKE (0.48) MAP3K14IKBKETBK1ACVR1
SCHEMBL22650494 0.86 MAP3K14 (0.46) MAP3K14TBK1CDK2ACVR1
SCHEMBL22650461 0.84 MAP3K14 (0.47) MAP3K14IKBKETBK1
SCHEMBL22650472 0.74 CDK4 (0.45) CDK1CDK4CCND1CCNB1CDK6
SCHEMBL22650473 0.73 MAP3K14 (0.41) MAP3K14CCNA2CDK2CCNA1ACVR1
SCHEMBL22650924 0.73 CDK4 (0.48) CDK1CDK4CCND1CCNB1CDK6
SCHEMBL29491175 0.72 CDK4 (0.49) CDK1CDK4CCND1CCNB1CDK6
SCHEMBL22650526 0.71 MAP4K1 (0.44) CDK1CDK4CCND1CCNB1CDK6
SCHEMBL29491159 0.71 CDK4 (0.58) CDK1CDK4CCND1CCNB1CDK6
SCHEMBL22650918 0.70 DKK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1

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 MAP3K14 122/4885CDK1 7/4885CDK4 10/4885

“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.