SCHEMBL4798379

SCHEMBL4798379

CCOC(=O)c1ncn(COCC[Si](C)(C)C)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 4/20 0.45
TARBP2 Q15633 1/20 0.45
DGAT1 O75907 2/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GABRG2 P18507 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
SCHEMBL4799247 0.87 DGAT1 (0.41) DGAT1NPC1GAA
SCHEMBL4802111 0.82 CYP1A2 (0.46) ALDH1A1MAPTTARBP2DGAT1CYP3A4
SCHEMBL14255842 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTARBP2DGAT1CYP2C19
SCHEMBL4804675 0.81 PTGS2 (0.39) DGAT1GAA
SCHEMBL3528543 0.80 MAPT (0.43) ALDH1A1MAPTDGAT1CYP2C19CYP1A2
SCHEMBL4073623 0.80 DGAT1 (0.40) DGAT1KDM4ENPC1RAB9A
SCHEMBL4064723 0.77 PTGS2 (0.50) ALDH1A1DGAT1
SCHEMBL8236392 0.77 CYP19A1 (0.48) ALDH1A1MAPTCYP19A1TARBP2CYP3A4
SCHEMBL3491424 0.77 CYP19A1 (0.48) ALDH1A1MAPTCYP19A1TARBP2CYP3A4
SCHEMBL4803193 0.77 DGAT1 (0.36) DGAT1MAPK1NPC1

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 ALDH1A1 2177/4885MAPT 3034/4885CYP19A1 1603/4885

“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.