SCHEMBL4718064

SCHEMBL4718064

COc1ccccc1CC(=O)Nc1cccc(C#Cc2c(N)ncnc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 2/20 0.53
P2RY14 Q15391 2/20 0.49
KDM4E B2RXH2 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
LMNA P02545 1/20 0.48
MAP2K7 O14733 1/20 0.47
CSF1R P07333 1/20 0.46
MAPT P10636 2/20 0.45
P2RX4 Q99571 1/20 0.44
ANO1 Q5XXA6 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
SCHEMBL4717289 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ATSHRP2RY14
SCHEMBL4716827 0.83 PDGFRB (0.55) MEN1KMT2AP2RY14MAPK8MAPK9
SCHEMBL4718231 0.83 ANO1 (0.48) LMNAMAP2K7CSF1RP2RX4ANO1
SCHEMBL4716848 0.83 LMNA (0.59) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL4718487 0.81 TP53 (0.54) SMN1; SMN2MEN1KMT2ATSHRMAPT
SCHEMBL5253161 0.79 LMNA (0.54) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL4719226 0.78 KDR (0.58) SMN1; SMN2MEN1KMT2ATSHRLMNA
SCHEMBL4717679 0.77 MEN1 (0.57) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL4719248 0.77 PTPN11 (0.50) SMN1; SMN2MEN1KMT2AMAPK9CSF1R
SCHEMBL4717158 0.76 NLRP3 (0.56) MEN1KMT2AP2RY14LMNAMAPT

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-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
CN-1917880-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN 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 SMN1; SMN2 3049/4885MEN1 1106/4885KMT2A 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.