SCHEMBL4715020

SCHEMBL4715020

CN(C(=O)Nc1cccc(C#Cc2cnc(Cl)nc2)c1)c1cc(C(C)(C)C)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
RAPGEF3 O95398 1/20 0.36
ALB P02768 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
BRAF P15056 3/20 0.36
RAF1 P04049 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LCK P06239 1/20 0.36
TEK Q02763 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
FLT3 P36888 2/20 0.35

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
SCHEMBL4717251 0.91 LCK (0.46) GRM5KMT2AMEN1RAB9ANPC1
SCHEMBL5312621 0.85 BRAF (0.44) MAPK14BRAFRAF1LCKFLT3
SCHEMBL4718430 0.84 LCK (0.41) GRM5KMT2AMEN1RAB9ANPC1
SCHEMBL4716313 0.82 KMT2A (0.60) KMT2AMEN1RAB9ANPC1MAPK14
SCHEMBL4717232 0.80 SLC2A1 (0.46) MAPK14BRAFRAF1LCKFLT3
SCHEMBL4718756 0.80 RAF1 (0.39) KMT2AMEN1RAB9ANPC1MAPK14
SCHEMBL4717609 0.79 BRAF (0.41) MAPK14BRAFRAF1LCK
SCHEMBL4719952 0.79 BRAF (0.44) MAPK14BRAFRAF1LCK
SCHEMBL5098025 0.77 GRM5 (0.40) GRM5KMT2AMEN1RAB9AMAPK14
SCHEMBL4714603 0.75 MEN1 (0.57) KMT2AMEN1RAB9ANPC1MAPK14

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 4 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 disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US 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 GRM5 2481/4885KMT2A 180/4885MEN1 1088/4885

“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.