SCHEMBL1990207

SCHEMBL1990207

Nc1nc2c(-c3c[nH]c4ccccc34)nccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 1.00
CDK5 Q00535 9/20 0.59
CDK5R1 Q15078 9/20 0.59
DYRK1A Q13627 3/20 0.57
ULK1 O75385 1/20 0.57
CDK7 P50613 1/20 0.57
PRKCE Q02156 1/20 0.57
CAMK2G Q13555 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
AAK1 Q2M2I8 1/20 0.57
MAP3K19 Q56UN5 1/20 0.57
CAMKK1 Q8N5S9 1/20 0.57
CAMKK2 Q96RR4 1/20 0.57
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
HTR5A P47898 2/20 0.56
CLK1 P49759 2/20 0.53
GSK3B P49841 1/20 0.53
MAP3K14 Q99558 1/20 0.53
MMP12 P39900 4/20 0.50

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
SCHEMBL1993094 0.76 PIM1 (0.62) PIM1CDK5CDK5R1DYRK1AULK1
SCHEMBL2000402 0.75 CDK5 (1.00) PIM1CDK5CDK5R1DYRK1AULK1
SCHEMBL8704484 0.75 HTR2C (0.61) PIM1CDK5CDK5R1DYRK1AHTR2C
SCHEMBL1987425 0.73 CDK5 (1.00) PIM1CDK5CDK5R1DYRK1AULK1
SCHEMBL3400592 0.71 HTR2B (1.00) PIM1CDK5CDK5R1HTR2CHTR2B
SCHEMBL29959679 0.71 HTR2B (1.00) PIM1CDK5CDK5R1HTR2CHTR2B
SCHEMBL29488162 0.70 GSK3B (1.00) PIM1CDK5CDK5R1DYRK1AHTR2B
SCHEMBL573402 0.70 GSK3B (1.00) PIM1CDK5CDK5R1DYRK1AHTR2B
SCHEMBL20691183 0.69 CLK1 (0.71) PIM1CDK5CDK5R1DYRK1ACLK1
SCHEMBL18982934 0.69 PIM1 (0.53) PIM1CDK5CDK5R1DYRK1AHTR2C

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 PIM1 3619/4885CDK5 710/4885CDK5R1 2029/4885

“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.