SCHEMBL4717289

SCHEMBL4717289

COc1ccccc1CC(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
P2RY14 Q15391 2/20 0.51
KDM4E B2RXH2 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
LCK P06239 1/20 0.47
TEK Q02763 1/20 0.47
P2RX4 Q99571 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
SCHEMBL4717679 0.89 MEN1 (0.57) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL4718064 0.88 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ATSHRP2RY14
SCHEMBL4715250 0.82 USP2 (0.57) MEN1KMT2AP2RY14LMNAMAPK8
SCHEMBL4717546 0.82 LMNA (0.62) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL4716314 0.81 MAPT (0.57) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL4714883 0.79 CDK8 (0.56) SMN1; SMN2MEN1KMT2ATSHRLMNA
SCHEMBL3574459 0.78 MAPK1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL3587488 0.77 LCK (0.49) LCKTEK
SCHEMBL4715335 0.76 LCK (0.46) SMN1; SMN2MEN1KMT2ATSHRLMNA
SCHEMBL4714719 0.76 TP53 (0.57) SMN1; SMN2MEN1KMT2ATSHRKDM4E

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 SMN1; SMN2 3209/4885MEN1 1088/4885KMT2A 180/4885

“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.