SCHEMBL4796404

SCHEMBL4796404

Cn1cnc(-c2ccc(Br)cc2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.79
KDR P35968 3/20 0.79
FLT1 P17948 2/20 0.79
CLK1 P49759 1/20 0.41
ADK P55263 1/20 0.39
PIK3CA P42336 2/20 0.35
KIT P10721 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK14 Q16539 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
DGAT1 O75907 2/20 0.33
NSD2 O96028 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4802343 0.91 TEK (0.83) TEKKDRFLT1PIK3CAKIT
SCHEMBL4803000 0.89 TEK (0.79) TEKKDRFLT1PIK3CAALDH1A1
SCHEMBL4797768 0.89 TEK (0.79) TEKKDRFLT1CLK1PIK3CA
SCHEMBL4800818 0.89 TEK (0.79) TEKKDRFLT1CLK1PIK3CA
SCHEMBL4806052 0.89 TEK (0.79) TEKKDRFLT1KITALDH1A1
SCHEMBL4802939 0.88 TEK (1.00) TEKKDRFLT1ALDH1A1POLB
SCHEMBL4804587 0.88 TEK (0.78) TEKKDRFLT1ADKALDH1A1
SCHEMBL4802728 0.87 TEK (0.76) TEKKDRFLT1CLK1ADK
SCHEMBL4802652 0.84 TEK (0.80) TEKKDRFLT1PIK3CA
SCHEMBL4799294 0.84 TEK (0.57) TEKKDRFLT1PIK3CAALDH1A1

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR TEK 2/4885KDR 3/4885FLT1 6/4885

“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.