SCHEMBL1612980

SCHEMBL1612980

CN(c1cc(I)ccc1OC1CCOCC1)c1nc(N)ncc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.35
PDE4D Q08499 2/20 0.33
LRRK2 Q5S007 2/20 0.33
SRC P12931 1/20 0.33
SYK P43405 1/20 0.33
P2RX3 P56373 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
CHEK1 O14757 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
ATR Q13535 1/20 0.31
GRM2 Q14416 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
AKT1 P31749 1/20 0.31
MTOR P42345 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL12743757 0.78 MAP3K14 (0.39) TBK1CNR2
SCHEMBL1612854 0.76 SRC (0.43) PIK3CALRRK2SRCCHEK1ATR
SCHEMBL1614286 0.75 MAP3K14 (0.53)
SCHEMBL1612455 0.73 ALOX5AP (0.38) PIK3CAPDE4DSYKALOX5APFEN1
SCHEMBL1613942 0.71 ALOX5AP (0.37) PIK3CAPDE4DLRRK2SYKALOX5AP
SCHEMBL1613407 0.71 ERBB2 (0.40) PIK3CASRCCHEK1ATRAKT1
SCHEMBL12713954 0.71 ERBB2 (0.40) PIK3CASRCCHEK1ATRAKT1
SCHEMBL1613257 0.71 ERBB2 (0.40) PIK3CASRCCHEK1ATRAKT1
SCHEMBL1825928 0.70 LRRK2 (0.45) LRRK2SRCCHEK1TBK1ATR
SCHEMBL1613268 0.68 SYK (0.44) PIK3CAPDE4DSYKPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PIK3CA 334/4885PDE4D 2909/4885LRRK2 347/4885

“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.