SCHEMBL558520

SCHEMBL558520

O=C1OCCN1CCOc1ccc2cnc(NC3CCC(O)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
MAPK8 P45983 3/20 0.41
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 2/20 0.41
CDK2 P24941 5/20 0.39
MAPK1 P28482 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
METTL3 Q86U44 2/20 0.38
CYP11B2 P19099 1/20 0.38
CASK O14936 2/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL558519 1.00 PDK2 (0.43) PDK2MAPK8MAPK10MAPK9MAPK14
SCHEMBL559235 0.83 SYK (0.46) MAPK8MAPK10MAPK1EGFRTYRO3
SCHEMBL559234 0.83 SYK (0.46) MAPK8MAPK10MAPK1EGFRTYRO3
SCHEMBL10166366 0.79 MAPK8 (0.43) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL12361718 0.79 MAPK8 (0.43) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL559903 0.79 MAPK8 (0.43) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL559904 0.79 MAPK8 (0.43) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL559324 0.78 MAPK8 (0.46) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL559323 0.78 MAPK8 (0.46) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL12361586 0.77 MAPK8 (0.46) MAPK8MAPK10MAPK9CDK2CCNA2

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 PDK2 640/4885MAPK8 20/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 PDK2 640/4885MAPK8 20/4885MAPK10 32/4885

“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.