SCHEMBL4798739

SCHEMBL4798739

Cn1cnc(-c2ccccc2)c1-c1cc2cncnc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.49
TNIK Q9UKE5 1/20 0.41
FLT1 P17948 4/20 0.41
KDR P35968 4/20 0.41
TEK Q02763 4/20 0.41
NSD2 O96028 1/20 0.39
TSHR P16473 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IMPDH2 P12268 1/20 0.37
MAPK14 Q16539 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29534158 0.78 IMPDH2 (0.50) FLT1KDRTSHRCYP1A2IMPDH2
SCHEMBL4800419 0.77 TEK (0.58) NSD3TNIKFLT1KDRTEK
SCHEMBL4796192 0.73 NSD3 (0.49) NSD3TNIKFLT1KDRTEK
SCHEMBL4799283 0.72 KDM4E (0.49) TSHRCYP1A2CYP3A4CLK4IMPDH2
SCHEMBL1009513 0.70 NSD3 (0.83) NSD3TNIKFLT1KDRTEK
SCHEMBL4802696 0.70 TEK (0.53) NSD3TNIKFLT1KDRTEK
SCHEMBL29874438 0.69 NSD3 (0.80) NSD3TNIKFLT1KDRTEK
SCHEMBL4797358 0.68 NSD3 (0.43) NSD3TNIKFLT1KDRTEK
SCHEMBL4802325 0.68 TEK (0.58) NSD3TNIKFLT1KDRTEK
SCHEMBL4584865 0.67 NSD3 (1.00) NSD3FLT1KDRTEKNSD2

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 6 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

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 NSD3 978/4885TNIK 2768/4885FLT1 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.