SCHEMBL4799731

SCHEMBL4799731

C[Si](C)(C)CCOCn1cnc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
DGAT1 O75907 5/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
F11 P03951 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
FAAH O00519 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
SCHEMBL4802111 0.87 CYP1A2 (0.46) DGAT1GAALMNANPC1FAAH
SCHEMBL4064723 0.82 PTGS2 (0.50) PTGS2DGAT1HDAC3HDAC4HDAC1
SCHEMBL4799070 0.81 KDR (0.40) PTGS2DGAT1HDAC3HDAC4HDAC1
SCHEMBL31469288 0.81 DGAT1 (0.42) PTGS2DGAT1HDAC3HDAC4HDAC1
SCHEMBL4799247 0.80 DGAT1 (0.41) PTGS2DGAT1HDAC3HDAC4HDAC1
SCHEMBL3028008 0.79 DGAT1 (0.38) DGAT1F11GAAPKMTSHR
SCHEMBL3636142 0.79 DGAT1 (0.38) DGAT1GAAPKMTSHRNPC1
SCHEMBL3028997 0.79 DGAT1 (0.36) DGAT1F11GAAPKMTSHR
SCHEMBL4797772 0.79 F11 (0.36) PTGS2DGAT1HDAC3HDAC4HDAC1
SCHEMBL4803007 0.78 KDR (0.38) PTGS2DGAT1F11ACAT1

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 5 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
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 PTGS2 899/4885DGAT1 4631/4885HDAC3 1382/4885

“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.