SCHEMBL6016497

SCHEMBL6016497

CC(C)N(CCO)c1nc(N[C@@H](CO)c2ccccc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.59
CCNE2 O96020 10/20 0.59
CCNE1 P24864 10/20 0.59
CDK1 P06493 10/20 0.59
CDK5 Q00535 9/20 0.59
CDK5R1 Q15078 2/20 0.47
CCNT1 O60563 1/20 0.47
PDE5A O76074 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE10A Q9Y233 1/20 0.47
ATM Q13315 1/20 0.47
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL6016661 1.00 CDK2 (0.59) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL7707886 0.83 CDK1 (0.60) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL7149075 0.81 CDK5 (0.65) CDK2CCNE1CDK1CDK5CDK5R1
SCHEMBL6016611 0.81 CDK5 (0.65) CDK2CCNE1CDK1CDK5CDK5R1
SCHEMBL6016606 0.81 CDK5 (0.65) CDK2CCNE1CDK1CDK5CDK5R1
SCHEMBL6016536 0.80 CDK1 (0.72) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL6016531 0.80 CDK1 (0.72) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL6016657 0.78 CDK5 (0.72) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL6016653 0.78 CDK5 (0.72) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL6016726 0.78 CDK5 (0.72) CDK2CCNE2CCNE1CDK1CDK5

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
EP-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP claimed
US-20030187261-A1 Purine derivatives, process for their preparation and use thereof USTAV EXPERIMANTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-10-02 US claimed

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-20030187261-A1 Purine derivatives, process for their preparation and use thereof DCK, DTYMK, CCNK CDK2 9/4885CCNE2 278/4885CCNE1 60/4885

“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.