SCHEMBL4717546

SCHEMBL4717546

Nc1ncc(C#Cc2cccc(NC(=O)Cc3ccccc3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
LCK P06239 2/20 0.52
TEK Q02763 2/20 0.52
EPHX2 P34913 1/20 0.51
KMT2A Q03164 3/20 0.51
CFD P00746 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.50
ALDH1A1 P00352 4/20 0.49
USP2 O75604 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
PTPN11 Q06124 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KDR P35968 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL4718715 0.87 LCK (0.62) LMNALCKTEKEPHX2KMT2A
SCHEMBL4716848 0.86 LMNA (0.59) LMNAEPHX2KMT2ACFDSIRT2
SCHEMBL4715250 0.86 USP2 (0.57) LMNAKMT2AALDH1A1USP2MEN1
SCHEMBL4717716 0.86 LCK (0.67) LMNALCKTEKKMT2AALDH1A1
SCHEMBL6101866 0.86 LMNA (0.76) LMNAEPHX2KMT2ACFDSIRT2
SCHEMBL4720860 0.84 KDR (0.57) LMNALCKTEKEPHX2KMT2A
SCHEMBL3580009 0.83 LCK (0.59) LCKTEKPTPN11KDR
SCHEMBL4717289 0.82 SMN1; SMN2 (0.59) LMNALCKTEKKMT2ASMN1; SMN2
SCHEMBL5253161 0.82 LMNA (0.54) LMNAEPHX2KMT2ACFDSIRT2
SCHEMBL3579039 0.80 LCK (0.47) LMNALCKTEKKMT2AALDH1A1

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-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
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN 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 LMNA 1542/4885LCK 391/4885TEK 2/4885

“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.