SCHEMBL2000402

SCHEMBL2000402

Nc1nc2c(-c3ccccc3)nccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 1.00
CDK5R1 Q15078 7/20 1.00
DYRK1A Q13627 2/20 0.68
ULK1 O75385 1/20 0.68
CDK7 P50613 1/20 0.68
PRKCE Q02156 1/20 0.68
CAMK2G Q13555 1/20 0.68
RPS6KA1 Q15418 1/20 0.68
AAK1 Q2M2I8 1/20 0.68
MAP3K19 Q56UN5 1/20 0.68
CAMKK1 Q8N5S9 1/20 0.68
CAMKK2 Q96RR4 1/20 0.68
PIM1 P11309 3/20 0.66
BMPR1B O00238 1/20 0.66
PIK3C2G O75747 1/20 0.66
CDKL5 O76039 1/20 0.66
TYK2 P29597 1/20 0.66
CLK2 P49760 1/20 0.66
STK32B Q9NY57 1/20 0.66
PI4KB Q9UBF8 1/20 0.66

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
SCHEMBL1988139 0.84 CDK5 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1987425 0.81 CDK5 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL19217458 0.80 CDK5 (0.67) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1990603 0.80 PIM1 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1990461 0.80 CDK5 (0.66) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1994872 0.78 CDK5 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1988192 0.76 CDK5 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1995043 0.75 CDK5 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL1990207 0.75 PIM1 (1.00) CDK5CDK5R1DYRK1AULK1CDK7
SCHEMBL841808 0.74 CDK5 (0.59) CDK5CDK5R1DYRK1AULK1CDK7

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-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF MACQUARIE UNIVERSITY (AU) 2011-06-23 US disclosed
WO-2009152584-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF MACQUARIE UNIVERSITY (AU) 2009-12-23 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-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF QDPR, ODC1, CROCC CDK5 710/4885CDK5R1 2029/4885DYRK1A 1831/4885

“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.