SCHEMBL4881029

SCHEMBL4881029

O=C(Nc1cccc(C#Cc2cnc(NCCCN3CCOCC3)nc2)c1)c1cccc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
LCK P06239 2/20 0.54
KDR P35968 2/20 0.49
TBK1 Q9UHD2 1/20 0.47
SMO Q99835 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK2A1 P68400 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR7 P34969 1/20 0.45
OPRK1 P41145 1/20 0.45
TRPV4 Q9HBA0 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL14107917 0.88 MAPK14 (0.56) MAPK14LCKKDRTBK1AURKA
SCHEMBL4639236 0.85 MAPK14 (0.52) MAPK14LCKKDRMEN1LMNA
SCHEMBL4639353 0.84 MAPK14 (0.58) MAPK14LCKKDRSMOABL1
SCHEMBL4638265 0.83 LCK (0.58) MAPK14LCKKDRSMOAURKA
SCHEMBL4714363 0.78 FLT3 (0.48) MAPK14LCKKDRAURKACSNK2A1
SCHEMBL4618634 0.78 EGFR (0.49) LMNAMAPTKMT2ACSNK2A1
SCHEMBL14107712 0.77 MAPK14 (0.61) MAPK14LCKKDRBRAF
SCHEMBL4620357 0.77 LCK (0.77) MAPK14LCKKDRTRPV4BRAF
SCHEMBL4718731 0.77 MAPK14 (0.49) MAPK14LCKABL1
SCHEMBL4716479 0.77 BRAF (0.54) KDRBRAF

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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 MAPK14 3097/4885LCK 902/4885KDR 4/4885

“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.