SCHEMBL4802131

SCHEMBL4802131

CSc1ncnc2cc(-c3c(-c4ccccc4)ncn3C)sc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.55
FLT1 P17948 3/20 0.55
KDR P35968 2/20 0.55
NSD3 Q9BZ95 1/20 0.47
STK17B O94768 10/20 0.46
MAP3K8 P41279 4/20 0.43
STK17A Q9UEE5 2/20 0.43
IKBKB O14920 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.39
AURKB Q96GD4 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL4800421 0.85 TEK (0.68) TEKFLT1KDRNSD3IKBKB
SCHEMBL4796150 0.83 TEK (0.72) TEKFLT1KDRNSD3
SCHEMBL17268777 0.82 IKBKB (0.61) FLT1STK17BMAP3K8STK17AIKBKB
SCHEMBL4797358 0.76 NSD3 (0.43) TEKFLT1KDRNSD3
SCHEMBL4796320 0.74 TEK (0.72) TEKFLT1KDRNSD3IKBKB
SCHEMBL4466734 0.73 TEK (0.58) TEKFLT1KDR
SCHEMBL4799951 0.72 TEK (0.57) TEKFLT1KDR
SCHEMBL4801246 0.72 TEK (0.57) TEKFLT1KDR
SCHEMBL4799294 0.72 TEK (0.57) TEKFLT1KDRSTK17BMAP3K8
SCHEMBL4797446 0.72 TEK (0.57) TEKFLT1KDR

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 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.