SCHEMBL4802186

SCHEMBL4802186

Cn1cnc(-c2cccc(NC(=O)O)c2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.86
KDR P35968 5/20 0.71
FLT1 P17948 3/20 0.71
BRAF P15056 2/20 0.43
MAP4K4 O95819 5/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
LIMK1 P53667 2/20 0.40
KIT P10721 3/20 0.39
LIMK2 P53671 1/20 0.39
FLT4 P35916 1/20 0.39
PI4K2A Q9BTU6 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
SCHEMBL4796059 0.93 TEK (1.00) TEKKDRFLT1BRAFMAP4K4
SCHEMBL4480247 0.89 TEK (0.85) TEKKDRFLT1BRAFMAP4K4
SCHEMBL4471994 0.89 TEK (0.85) TEKKDRFLT1BRAFKIT
SCHEMBL4801489 0.87 TEK (0.83) TEKKDRFLT1BRAFLIMK1
SCHEMBL4467818 0.86 TEK (0.83) TEKKDRFLT1BRAFMAP4K4
SCHEMBL4484707 0.86 TEK (0.83) TEKKDRFLT1BRAFKIT
SCHEMBL4796015 0.85 TEK (0.86) TEKKDRFLT1MAP4K4LIMK1
SCHEMBL4471484 0.84 TEK (0.73) TEKKDRFLT1BRAFMAP4K4
SCHEMBL4485440 0.84 TEK (0.70) TEKKDRFLT1MAP4K4LIMK1
SCHEMBL4476973 0.84 TEK (0.73) TEKKDRFLT1BRAFMAP4K4

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 9 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP claimed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-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.