SCHEMBL4638874

SCHEMBL4638874

Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.52
TEK Q02763 3/20 0.52
BRAF P15056 4/20 0.51
KDR P35968 6/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AAK1 Q2M2I8 1/20 0.46
INSR P06213 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK14 Q16539 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
KIT P10721 1/20 0.41

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
SCHEMBL4638244 0.87 AAK1 (0.46) LCKTEKBRAFKDRAAK1
SCHEMBL4715085 0.86 MAPK14 (0.60) BRAFLMNAMAPTMAPK14
SCHEMBL14107960 0.85 MAPK14 (0.54) LCKBRAFKDRMEN1KMT2A
SCHEMBL4638889 0.83 GALR3 (0.52) LCKTEKLMNA
SCHEMBL4641036 0.81 LCK (0.56) LCKTEKBRAFKDRLMNA
SCHEMBL2951675 0.78 LCK (0.57) LCKBRAFKDRAAK1INSR
SCHEMBL1903600 0.77 KDM4E (0.60) BRAFMEN1KMT2AAAK1ALDH1A1
SCHEMBL4717552 0.76 MAPK14 (0.60) BRAFLMNAMAPTMAPK14
SCHEMBL14107914 0.75 AAK1 (0.51) LCKBRAFKDRAAK1INSR
SCHEMBL4718570 0.74 MEN1 (0.50) LCKTEKKDRMEN1KMT2A

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
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 LCK 902/4885TEK 2/4885BRAF 2721/4885

“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.