SCHEMBL4799990

SCHEMBL4799990

Cn1cnc(-c2ccccc2)c1-c1cc2ncnc(N)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.53
FLT1 P17948 4/20 0.53
KDR P35968 4/20 0.53
NSD3 Q9BZ95 1/20 0.45
NPY5R Q15761 2/20 0.42
TNIK Q9UKE5 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
NSD2 O96028 1/20 0.38
MAP4K4 O95819 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
IKBKB O14920 1/20 0.36
TGFBR1 P36897 1/20 0.36
ADORA2A P29274 1/20 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
Hydrochloric Acid SCHEMBL8125774 0.78 NPY5R (0.57) NPY5RPI4KAPI4K2BPI4K2API4KB
SCHEMBL5750048 0.75 KDM4E (0.51) NPY5RPI4KAPI4K2BPI4K2API4KB
SCHEMBL4802696 0.74 TEK (0.53) TEKFLT1KDRNSD3TNIK
SCHEMBL4800421 0.74 TEK (0.68) TEKFLT1KDRNSD3TNIK
SCHEMBL4797681 0.72 TEK (0.60) TEKFLT1KDRNSD3PI4KA
SCHEMBL4796192 0.72 NSD3 (0.49) TEKFLT1KDRNSD3TNIK
SCHEMBL1009513 0.69 NSD3 (0.83) TEKFLT1KDRNSD3TNIK
SCHEMBL4800419 0.69 TEK (0.58) TEKFLT1KDRNSD3TNIK
SCHEMBL4802939 0.69 TEK (1.00) TEKFLT1KDRNSD3ADORA2A
SCHEMBL29874438 0.68 NSD3 (0.80) TEKFLT1KDRNSD3TNIK

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 7 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 claimed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US claimed
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
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN 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 2/4885FLT1 6/4885KDR 3/4885

“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.