SCHEMBL10165882

SCHEMBL10165882

O[C@H]1CC[C@H](Nc2ncc3cccc(OC4CCCCC4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.55
MAPK10 P53779 7/20 0.54
JUN P05412 2/20 0.54
MCHR1 Q99705 2/20 0.48
AXL P30530 1/20 0.47
FLT3 P36888 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
GAS6 Q14393 1/20 0.47
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
MAPK8 P45983 6/20 0.45
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
MAPK9 P45984 4/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL10165912 1.00 TNIK (0.55) TNIKMAPK10JUNMCHR1AXL
SCHEMBL558890 0.97 TNIK (0.56) TNIKMAPK10JUNMCHR1AXL
SCHEMBL558889 0.97 TNIK (0.56) TNIKMAPK10JUNMCHR1AXL
SCHEMBL1633523 0.93 MCHR1 (0.51) TNIKMAPK10JUNMCHR1JAK2
SCHEMBL2256639 0.89 TNIK (0.53) TNIKMAPK10JUNAXLTYRO3
SCHEMBL2256643 0.89 TNIK (0.53) TNIKMAPK10JUNAXLTYRO3
SCHEMBL559738 0.87 TNIK (0.52) TNIKMAPK10JUNJAK2JAK1
SCHEMBL558421 0.87 MAPK10 (0.53) TNIKMAPK10JUNJAK2JAK1
SCHEMBL559739 0.87 TNIK (0.52) TNIKMAPK10JUNJAK2JAK1
SCHEMBL558422 0.87 MAPK10 (0.53) TNIKMAPK10JUNJAK2JAK1

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 2 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

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 TNIK 1616/4885MAPK10 32/4885JUN 36/4885

“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.