SCHEMBL4801344

SCHEMBL4801344

Cn1cnc(-c2ccccc2)c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.50
LMNA P02545 1/20 0.44
KDR P35968 5/20 0.43
FLT1 P17948 4/20 0.43
TEK Q02763 4/20 0.43
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
USP1 O94782 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGS2 P35354 2/20 0.41
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
KDM5A P29375 1/20 0.40

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
SCHEMBL22256581 0.83 NPC1 (0.39) NSD3LMNAUSP1SMN1; SMN2KDM2B
SCHEMBL12457301 0.78 DPP4 (0.43) NSD3USP1SMN1; SMN2DPP4DPP8
SCHEMBL462998 0.74 DPP4 (0.46) LMNASMN1; SMN2DPP4
SCHEMBL19159715 0.73 NSD3 (0.56) NSD3LMNAKDRFLT1TEK
SCHEMBL1009513 0.73 NSD3 (0.83) NSD3LMNAKDRFLT1TEK
SCHEMBL25147600 0.72 NSD3 (0.54) NSD3LMNAKDRFLT1TEK
SCHEMBL27217160 0.72 NSD3 (0.54) NSD3LMNAKDRFLT1TEK
SCHEMBL29874438 0.72 NSD3 (0.80) NSD3LMNAKDRFLT1TEK
SCHEMBL14788600 0.72 KDM4C (0.39) USP1KDM4C
SCHEMBL2687247 0.71 SMN1; SMN2 (0.45) SMN1; SMN2POLBRECQL

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 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
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 NSD3 978/4885LMNA 3041/4885KDR 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.