Purvalanola

Purvalanola

SCHEMBL30375366

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 13/20 1.00
CDK5R1 Q15078 13/20 1.00
CCNA2 P20248 10/20 1.00
CDK2 P24941 10/20 1.00
CCNA1 P78396 10/20 1.00
DYRK1A Q13627 9/20 1.00
CDK1 P06493 8/20 1.00
KDM4E B2RXH2 6/20 1.00
MAPT P10636 4/20 1.00
CCNB1 P14635 4/20 1.00
MAPK1 P28482 3/20 1.00
CCNB2 O95067 3/20 1.00
ALDH1A1 P00352 3/20 1.00
CCNB3 Q8WWL7 3/20 1.00
MEN1 O00255 2/20 1.00
TP53 P04637 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
TSHR P16473 2/20 1.00

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
Purvalanola SCHEMBL29360281 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Purvalanola SCHEMBL1217069 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Purvalanola SCHEMBL3311119 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Aminopurvalanol SCHEMBL2170683 0.87 CDK1 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Aminopurvalanol SCHEMBL29386084 0.87 CDK1 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Aminopurvalanol SCHEMBL23752328 0.87 CDK1 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Aminopurvalanol SCHEMBL21168739 0.87 CDK1 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL13638193 0.86 CDK5 (0.76) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7526656 0.85 CDK1 (0.82) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20694113 0.85 CDK5 (0.77) CDK5CDK5R1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197874-A1 PLANT-PRODUCED CHIMAERIC ORBIVIRUS VLPS CSIR (ZA) 2025-06-19 US disclosed
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 US disclosed
US-20250043276-A1 Targeted Enrichment of Nucleic Acid Sequences UNIVERSITY OF OREGON 2025-02-06 US disclosed
US-12215328-B2 Plant-produced chimaeric orbivirus VLPs CSIR (ZA) 2025-02-04 US disclosed
CN-118557699-A Antiviral compositions and methods 莫尔豪斯医学院 2024-08-30 CN disclosed
CN-113194979-B Antiviral compositions and methods 莫尔豪斯医学院 2024-05-24 CN disclosed
CN-116187757-A Complex risk calculation method and dynamic control system for coal chemical looping gasification 青岛科技大学 2023-05-30 CN disclosed
CN-115997297-A Method for manufacturing a porous electrode and battery comprising such an electrode I-TEN公司 2023-04-21 CN 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-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 CDK5 1692/4885CDK5R1 3280/4885CCNA2 137/4885

“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.