SCHEMBL4717679

SCHEMBL4717679

COc1ccccc1CC(=O)Nc1ccc(C#Cc2cnc(N)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TSHR P16473 2/20 0.57
KLK7 P49862 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 3/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ACACB O00763 1/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
USP2 O75604 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48

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 0.89 SMN1; SMN2 (0.59) MEN1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL4718064 0.77 SMN1; SMN2 (0.57) MEN1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL31393812 0.77 MEN1 (0.76) MEN1KMT2ATSHRKLK7SMN1; SMN2
SCHEMBL8049389 0.77 MEN1 (0.76) MEN1KMT2ATSHRKLK7SMN1; SMN2
SCHEMBL3574459 0.76 MAPK1 (0.53) MEN1KMT2AKDM4EACACBLMNA
SCHEMBL6496067 0.72 KCNJ5 (0.66) MEN1KMT2ATSHRKLK7SMN1; SMN2
SCHEMBL4718543 0.72 CSF1R (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4715250 0.72 USP2 (0.57) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL4717411 0.71 RAB9A (0.47) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4717546 0.70 LMNA (0.62) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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 MEN1 1088/4885KMT2A 180/4885TSHR 2965/4885

“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.