SCHEMBL1611705

SCHEMBL1611705

Brc1ccc2[nH]cc(-c3ccncn3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.63
CDK5R1 Q15078 5/20 0.63
CLK1 P49759 3/20 0.63
CCNB2 O95067 3/20 0.63
CDK1 P06493 3/20 0.63
CCNB1 P14635 3/20 0.63
PRKACA P17612 3/20 0.63
PRKACG P22612 3/20 0.63
PRKACB P22694 3/20 0.63
GSK3B P49841 3/20 0.63
CCNB3 Q8WWL7 3/20 0.63
CSNK1A1 P48729 2/20 0.63
CSNK1D P48730 2/20 0.63
CSNK1E P49674 2/20 0.63
CSNK1G2 P78368 2/20 0.63
CSNK1G1 Q9HCP0 2/20 0.63
PIM1 P11309 2/20 0.63
PDPK1 O15530 1/20 0.63
CYP1A1 P04798 1/20 0.63
CYP1A2 P05177 1/20 0.63

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
SCHEMBL1612519 0.82 HTR1A (0.49) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL11757620 0.81 PIM1 (0.60) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL9828569 0.78 HSD17B10 (0.60) CDK5CDK5R1CLK1GSK3BCYP1A2
SCHEMBL30378846 0.78 HSD17B10 (0.60) CDK5CDK5R1CLK1GSK3BCYP1A2
Meridianin C SCHEMBL1612228 0.77 GSK3B (1.00) CDK5CDK5R1CLK1CCNB2CDK1
Meridianin C SCHEMBL30369326 0.77 GSK3B (1.00) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL28684478 0.77 CDK5 (0.71) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL1836153 0.77 CDK5 (0.71) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL5429556 0.77 GPR84 (0.62) CDK5CDK5R1CLK1CCNB2CDK1
SCHEMBL1612722 0.74 CDK5 (0.67) CDK5CDK5R1CLK1CCNB2CDK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CDK5 1092/4885CDK5R1 1000/4885CLK1 389/4885

“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.