SCHEMBL4716848

SCHEMBL4716848

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CFD P00746 1/20 0.49
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 4/20 0.47
USP2 O75604 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
PTPN11 Q06124 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
KDR P35968 1/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5253161 0.95 LMNA (0.54) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4717158 0.87 NLRP3 (0.56) LMNAKMT2AEPHX2KDRMAPT
SCHEMBL4716827 0.87 PDGFRB (0.55) LMNAKMT2AALDH1A1USP2HPGD
SCHEMBL4717797 0.87 MEN1 (0.57) LMNAKMT2AALDH1A1SMN1; SMN2KDR
SCHEMBL4717546 0.86 LMNA (0.62) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4719226 0.86 KDR (0.58) LMNAKMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL3576758 0.84 KDR (0.52) SMN1; SMN2AURKARPS6KB1AURKBPTPN11
SCHEMBL4719248 0.84 PTPN11 (0.50) KMT2AALDH1A1SMN1; SMN2AURKARPS6KB1
SCHEMBL6101866 0.84 LMNA (0.76) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4718064 0.83 SMN1; SMN2 (0.57) LMNAKMT2ASMN1; SMN2MAPTMEN1

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 LMNA 1456/4885CFD 1610/4885KMT2A 162/4885

“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.