SCHEMBL4803560

SCHEMBL4803560

CCOC(OCC)c1cc2c(SC)ncnc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.38
VCAM1 P19320 6/20 0.38
ICAM1 P05362 5/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
PLK1 P53350 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 4/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 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
SCHEMBL29370624 0.71 CSNK2A2 (0.59) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL4801211 0.69 ALDH1A1 (0.45) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL4467490 0.66 ALDH1A1 (0.41) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL9199015 0.66 ALDH1A1 (0.39) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL10271468 0.64 MEN1 (0.42) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL4479617 0.64 ALDH1A1 (0.40) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL4479614 0.64 ALDH1A1 (0.40) SELEVCAM1ICAM1HTTALDH1A1
SCHEMBL5065405 0.59 HSD17B10 (0.44) HTTALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL6837677 0.59 ALDH1A1 (0.43) ALDH1A1LMNAHPGDRAB9ATP53
SCHEMBL4472087 0.59 ALDH1A1 (0.55) HTTALDH1A1LMNASMN1; SMN2L3MBTL1

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 3 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

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 SELE 771/4885VCAM1 56/4885ICAM1 731/4885

“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.