SCHEMBL4720987

SCHEMBL4720987

Nc1ncc(C#Cc2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 17/20 0.57
NPC1 O15118 16/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
TP53 P04637 1/20 0.57
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 6/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL4881339 0.87 LCK (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4720860 0.82 KDR (0.57) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4719577 0.82 NPC1 (0.52) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4717670 0.81 LCK (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4715827 0.80 MEN1 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4716338 0.80 KDR (0.57) KMT2AMEN1MAPT
SCHEMBL4720848 0.79 EPHX2 (0.49) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4719789 0.79 LCK (0.54) SMN1; SMN2TP53KMT2AMEN1POLB
SCHEMBL4717465 0.79 LCK (0.56) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4714699 0.79 MEN1 (0.57) RAB9ANPC1KMT2AMEN1POLB

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 RAB9A 4632/4885NPC1 4797/4885SMN1; SMN2 3209/4885

“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.