SCHEMBL1990603

SCHEMBL1990603

Nc1nc2c(-c3cnc4ccccc4c3)nccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 1.00
DYRK1A Q13627 2/20 1.00
BMPR1B O00238 1/20 1.00
PIK3C2G O75747 1/20 1.00
CDKL5 O76039 1/20 1.00
TYK2 P29597 1/20 1.00
CLK2 P49760 1/20 1.00
STK32B Q9NY57 1/20 1.00
PI4KB Q9UBF8 1/20 1.00
IRAK3 Q9Y616 1/20 1.00
CDK5 Q00535 7/20 0.66
CDK5R1 Q15078 7/20 0.66
ULK1 O75385 1/20 0.56
CDK7 P50613 1/20 0.56
PRKCE Q02156 1/20 0.56
CAMK2G Q13555 1/20 0.56
RPS6KA1 Q15418 1/20 0.56
AAK1 Q2M2I8 1/20 0.56
MAP3K19 Q56UN5 1/20 0.56
CAMKK1 Q8N5S9 1/20 0.56

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
SCHEMBL2000402 0.80 CDK5 (1.00) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL1988139 0.75 CDK5 (1.00) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL1987425 0.72 CDK5 (1.00) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL13197745 0.71 PDGFRB (0.59) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL5292377 0.71 PDGFRB (0.56) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL1990461 0.71 CDK5 (0.66) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL1994872 0.70 CDK5 (1.00) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL17610510 0.69 PIM1 (0.53) PIM1DYRK1ABMPR1BPIK3C2GCDKL5
SCHEMBL2772360 0.69 PDGFRB (0.77) PDGFRBPDGFRACYP2A6
SCHEMBL32667946 0.69 PDGFRB (0.77) PDGFRBPDGFRACYP2A6

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 3619/4885DYRK1A 1831/4885BMPR1B 2466/4885

“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.