SCHEMBL559189

SCHEMBL559189

O=C(c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12)N1CCC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.51
JUN P05412 2/20 0.51
CDK2 P24941 8/20 0.47
CDK7 P50613 8/20 0.47
CCNH P51946 8/20 0.47
MNAT1 P51948 8/20 0.47
CCNK O75909 7/20 0.47
CDK12 Q9NYV4 7/20 0.47
CCNA2 P20248 7/20 0.47
MAPK8 P45983 7/20 0.44
MAPK9 P45984 4/20 0.44
VNN1 O95497 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CCNE1 P24864 1/20 0.42
MERTK Q12866 1/20 0.42

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
SCHEMBL2257078 1.00 MAPK10 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL10166034 1.00 MAPK10 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL559027 0.87 MAPK10 (0.50) MAPK10JUNCDK2MAPK8MAPK9
SCHEMBL2258647 0.87 MAPK10 (0.50) MAPK10JUNCDK2MAPK8MAPK9
SCHEMBL10166811 0.82 CCNA2 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL2260074 0.82 CCNA2 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL12361761 0.82 CCNA2 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL559356 0.82 CCNA2 (0.51) MAPK10JUNCDK2CDK7CCNH
SCHEMBL2256524 0.80 MAPK10 (0.56) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL2256528 0.80 MAPK10 (0.56) MAPK10JUNMAPK8MAPK9MERTK

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 MAPK10 32/4885JUN 36/4885CDK2 125/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885CDK2 125/4885

“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.