SCHEMBL26772811

SCHEMBL26772811

Cc1nc(NC2CC2)c2ncn(C(C)C)c2n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.61
CDK9 P50750 2/20 0.61
CDK1 P06493 3/20 0.56
CCNE1 P24864 15/20 0.52
CCNB1 P14635 1/20 0.52
FLT3 P36888 1/20 0.50
CCNE2 O96020 14/20 0.48
CCNA2 P20248 14/20 0.48
CCNA1 P78396 14/20 0.48

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
SCHEMBL23547403 0.91 CDK2 (0.55) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL30911090 0.91 CDK2 (0.55) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3306974 0.85 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL13057362 0.85 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL10137840 0.85 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL31064238 0.84 CDK2 (0.49) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL13057363 0.83 CDK2 (0.57) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3130740 0.82 CDK2 (0.56) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL23547401 0.81 ALDH1A1 (0.51) CDK2CDK9CDK1CCNA2
SCHEMBL26027585 0.81 CDK2 (0.47) CDK2CDK1CCNE1CCNB1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2024-01-18 US disclosed
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2023-10-31 US 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 (2 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-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, SGMS2 CDK2 2563/4885CDK9 3309/4885CDK1 2513/4885
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 CDK2 2495/4885CDK9 3256/4885CDK1 2497/4885

“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.