SCHEMBL1612992

SCHEMBL1612992

Brc1cccc(Nc2ccncn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
CDK9 P50750 1/20 0.50
CDK5 Q00535 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDR P35968 3/20 0.43
JAK2 O60674 2/20 0.39
TYK2 P29597 2/20 0.39
JAK1 P23458 1/20 0.39
TGFBR1 P36897 3/20 0.39
FYN P06241 2/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
TGFBR2 P37173 1/20 0.36
MPL P40238 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL31143287 0.81 KDR (0.51) KDRKDM4ENPC1LMNATP53
SCHEMBL14127502 0.81 KDR (0.51) KDRKDM4ENPC1LMNATP53
SCHEMBL15679551 0.80 KMT2A (0.53) KDRKDM4ENPC1LMNATP53
SCHEMBL27625398 0.79 TGFBR1 (0.53) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL4630887 0.79 GSK3A (0.53) GSK3ACDK9CDK5TAOK1CLK4
Hydrochloric Acid SCHEMBL7857018 0.77 GSK3A (0.51) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL901654 0.76 KDR (0.47) KDRJAK2TYK2JAK1LYN
SCHEMBL3948701 0.76 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL31355479 0.76 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL31355480 0.76 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4

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 GSK3A 312/4885CDK9 769/4885CDK5 1092/4885

“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.