SCHEMBL4801988

SCHEMBL4801988

CSc1ncnc2cc(CC(=O)c3ccccc3)sc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
STK17B O94768 12/20 0.45
MAP3K8 P41279 7/20 0.45
STK17A Q9UEE5 3/20 0.45
CAMKK1 Q8N5S9 1/20 0.45
AURKB Q96GD4 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL17268777 0.71 IKBKB (0.61) STK17BMAP3K8STK17A
SCHEMBL28666644 0.63 CYP2A6 (0.56) SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL29861035 0.63 CYP2A6 (0.56) SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL11375539 0.62 KMT2A (0.66) SMN1; SMN2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL28674583 0.62 KMT2A (0.47) SMN1; SMN2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6168851 0.60 RAB9A (0.47) SMN1; SMN2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6168844 0.59 MAPT (0.51) SMN1; SMN2L3MBTL1TDP1MEN1KMT2A
SCHEMBL8804837 0.59 KMT2A (0.45) SMN1; SMN2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL2933353 0.59 RAB9A (0.42) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23621610 0.59 MAPT (0.50) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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 SMN1; SMN2 2527/4885ALDH1A1 2177/4885L3MBTL1 3516/4885

“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.