SCHEMBL4720848

SCHEMBL4720848

O=C(Nc1cccc(C#Cc2cnc(NCCN3CCCC3)nc2)c1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
CNR1 P21554 1/20 0.49
RAB9A P51151 13/20 0.46
NPC1 O15118 12/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
KDM4E B2RXH2 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4717448 0.86 EPHX2 (0.46) EPHX2CNR1KMT2AMEN1LMNA
SCHEMBL4717277 0.85 MAPK1 (0.47) EPHX2KMT2AMAPTMEN1LMNA
SCHEMBL4716333 0.85 ALDH1A1 (0.49) CNR1RAB9ANPC1KMT2AMAPT
SCHEMBL4718632 0.85 MCHR1 (0.47) EPHX2KMT2AMEN1POLB
SCHEMBL4716000 0.83 EPHX2 (0.59) EPHX2
SCHEMBL4715814 0.83 MCHR1 (0.49) CNR1TP53MAPTLMNATSHR
SCHEMBL4717700 0.82 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL4715852 0.82 MEN1 (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4717402 0.81 MCHR1 (0.51) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4714395 0.80 HRH3 (0.45) EPHX2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 EPHX2 1274/4885CNR1 2511/4885RAB9A 4632/4885

“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.