SCHEMBL1612993

SCHEMBL1612993

Nc1ncc(I)c(-c2c[nH]c3ccc(Br)cc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 17/20 1.00
CDK5 Q00535 11/20 1.00
CDK5R1 Q15078 11/20 1.00
PDPK1 O15530 1/20 0.60
CCNB2 O95067 1/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CDK1 P06493 1/20 0.60
PIM1 P11309 1/20 0.60
CCNB1 P14635 1/20 0.60
PRKACA P17612 1/20 0.60
PRKACG P22612 1/20 0.60
PRKACB P22694 1/20 0.60
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
CSNK1E P49674 1/20 0.60
GSK3B P49841 1/20 0.60
CSNK1G2 P78368 1/20 0.60
CYP1B1 Q16678 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60

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
SCHEMBL1612875 0.85 CLK1 (0.73) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1612715 0.85 CLK1 (0.73) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1613323 0.81 CLK1 (0.69) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1612792 0.81 CLK1 (0.69) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1613203 0.79 MAP3K14 (0.67) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1613145 0.77 MAP3K14 (0.64) CLK1CDK5CDK5R1PDPK1CCNB2
Meridianin C SCHEMBL1612228 0.75 GSK3B (1.00) CLK1CDK5CDK5R1PDPK1CCNB2
Meridianin C SCHEMBL30369326 0.75 GSK3B (1.00) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL1613095 0.73 CLK1 (0.57) CLK1CDK5CDK5R1PDPK1CCNB2
SCHEMBL5429556 0.72 GPR84 (0.62) CLK1CDK5CDK5R1PDPK1CCNB2

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 CLK1 389/4885CDK5 1092/4885CDK5R1 1000/4885

“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.