SCHEMBL21996606

SCHEMBL21996606

CC(C)n1cc(I)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.33
CDK2 P24941 7/20 0.33
CCNA1 P78396 7/20 0.33
CDK5 Q00535 6/20 0.33
DYRK1A Q13627 6/20 0.33
CDK5R1 Q15078 6/20 0.33
CDK1 P06493 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL407871 0.77 ADK (0.46)
SCHEMBL21996594 0.76 KDM4E (0.36) CDK2
SCHEMBL21996593 0.75 CDK5 (0.39) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL21996598 0.74 PIM1 (0.35) CDK5CDK5R1
SCHEMBL12985086 0.72 LRRK2 (0.41) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL2314716 0.69 CDK1 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL30095873 0.69 CDK1 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL25221152 0.69 LMNA (0.37)
SCHEMBL31052291 0.69 LMNA (0.37)
SCHEMBL30104030 0.67 ADK (0.43)

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
US-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS CELULARITY INC. (US) 2022-08-11 US disclosed
EP-3887364-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity Inc. (US) 2021-10-06 EP disclosed
CN-113454076-A Aromatic compounds for activating hematopoietic stem and progenitor cells 细胞结构公司 2021-09-28 CN disclosed
WO-2020113178-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity, Inc. (US) 2020-06-04 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-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS ALPP, MCL1, NFATC1 CCNA2 551/4885CDK2 797/4885CCNA1 988/4885

“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.