SCHEMBL4718487

SCHEMBL4718487

COc1cccc(NC(=O)Nc2cccc(C#Cc3c(N)ncnc3N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
KDR P35968 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KIT P10721 1/20 0.54
TEK Q02763 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
CDK8 P49336 1/20 0.53
RAF1 P04049 2/20 0.53
BRAF P15056 1/20 0.53
MAPT P10636 3/20 0.52
MITF O75030 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
FLT3 P36888 2/20 0.50
ROCK2 O75116 1/20 0.49
LIMK1 P53667 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3575031 0.89 ROCK2 (0.55) KDRALDH1A1KITTEKNPC1
SCHEMBL4714883 0.87 CDK8 (0.56) TP53TSHRALDH1A1TEKNPC1
SCHEMBL4716827 0.87 PDGFRB (0.55) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4719226 0.86 KDR (0.58) TP53TSHRKDRALDH1A1KIT
SCHEMBL4717500 0.85 GRM5 (0.50) TP53KDRALDH1A1MAPTKMT2A
SCHEMBL13499920 0.82 CYP1A2 (0.49) KDRALDH1A1TEKMAPTKMT2A
SCHEMBL4719248 0.82 PTPN11 (0.50) KDRALDH1A1KITTEKNPC1
SCHEMBL5251355 0.81 KDR (0.54) KDRALDH1A1KITTEKNPC1
SCHEMBL4718064 0.81 SMN1; SMN2 (0.57) TSHRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4880842 0.81 GAA (0.52) ALDH1A1HTTSMN1; SMN2

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 3 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

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 TP53 2845/4885TSHR 3001/4885KDR 5/4885

“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.