SCHEMBL560213

SCHEMBL560213

CN1CCC(COc2ccc3cnc(NC4CCC(O)CC4)nc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
KDR P35968 3/20 0.44
METTL3 Q86U44 2/20 0.44
MAPK10 P53779 2/20 0.43
MAPK9 P45984 1/20 0.43
CDK2 P24941 4/20 0.42
CCNA2 P20248 3/20 0.42
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
MNAT1 P51948 3/20 0.42
CCNK O75909 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
FLT3 P36888 2/20 0.41
TYRO3 Q06418 2/20 0.41
GAS6 Q14393 2/20 0.41
MERTK Q12866 1/20 0.41
RIPK2 O43353 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL560212 1.00 MAPK8 (0.44) MAPK8KDRMETTL3MAPK10MAPK9
SCHEMBL558794 0.89 CDK2 (0.47) MAPK8METTL3MAPK10MAPK9CDK2
SCHEMBL10166344 0.89 CDK2 (0.47) MAPK8METTL3MAPK10MAPK9CDK2
SCHEMBL558793 0.89 CDK2 (0.47) MAPK8METTL3MAPK10MAPK9CDK2
SCHEMBL558702 0.86 MAPK8 (0.44) MAPK8METTL3MAPK10MAPK9CDK2
SCHEMBL559277 0.86 MAPK8 (0.46) MAPK8KDRMAPK10MAPK9CDK2
SCHEMBL558703 0.86 MAPK8 (0.44) MAPK8METTL3MAPK10MAPK9CDK2
SCHEMBL559278 0.86 MAPK8 (0.46) MAPK8KDRMAPK10MAPK9CDK2
SCHEMBL559942 0.84 CHRNB2 (0.48)
SCHEMBL559943 0.84 CHRNB2 (0.48)

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 MAPK8 20/4885KDR 2159/4885METTL3 537/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885KDR 2159/4885METTL3 537/4885

“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.