SCHEMBL4801512

SCHEMBL4801512

CON(C)C(=O)c1cc2cncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.49
DYRK1A Q13627 3/20 0.49
DYRK1B Q9Y463 1/20 0.49
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 4/20 0.34
PDE10A Q9Y233 1/20 0.32
CLK2 P49760 1/20 0.32
PRMT3 O60678 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL4800245 0.80 CSNK2A1 (0.46) DYRK1AICAM1SELELMNAKDM4E
SCHEMBL13977427 0.80 CLK1 (0.48) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL29728017 0.76 ALDH1A1 (0.42) DYRK1AKDM4EALDH1A1PKM
SCHEMBL4908387 0.76 ALDH1A1 (0.42) DYRK1AKDM4EALDH1A1PKM
SCHEMBL2012991 0.75 CLK1 (0.63) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL30396687 0.74 DAPK3 (0.49) DYRK1ADYRK1BICAM1SELECLK2
SCHEMBL5073476 0.74 DAPK3 (0.49) DYRK1ADYRK1BICAM1SELECLK2
SCHEMBL22321446 0.74 CLK1 (0.58) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL18105639 0.74 CLK1 (0.48) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL6224494 0.74 POLB (0.42) ICAM1SELEKDM4ENPC1ALDH1A1

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 CLK1 2750/4885DYRK1A 772/4885DYRK1B 824/4885

“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.