SCHEMBL558835

SCHEMBL558835

OC1CCC(Nc2ncc3cccc(OC4CCCN(Cc5ccccn5)C4)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK10 P53779 3/20 0.42
JUN P05412 1/20 0.42
KAT2B Q92831 1/20 0.41
TNIK Q9UKE5 1/20 0.41
FLT3 P36888 2/20 0.40
TYRO3 Q06418 2/20 0.40
MERTK Q12866 2/20 0.40
GAS6 Q14393 2/20 0.40
AXL P30530 1/20 0.40
MCHR1 Q99705 2/20 0.40
MAPK8 P45983 3/20 0.39
MAPK9 P45984 2/20 0.39
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP3K12 Q12852 1/20 0.37
JAK2 O60674 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
SCHEMBL10166284 1.00 ROCK2 (0.43) ROCK2ROCK1MAPK10JUNKAT2B
SCHEMBL558834 1.00 ROCK2 (0.43) ROCK2ROCK1MAPK10JUNKAT2B
SCHEMBL12361712 1.00 ROCK2 (0.43) ROCK2ROCK1MAPK10JUNKAT2B
SCHEMBL10166363 0.83 ROCK1 (0.46) ROCK2ROCK1KAT2BFLT3TYRO3
SCHEMBL559276 0.83 ROCK1 (0.46) ROCK2ROCK1KAT2BFLT3TYRO3
SCHEMBL559275 0.83 ROCK1 (0.46) ROCK2ROCK1KAT2BFLT3TYRO3
SCHEMBL558929 0.81 MAPK10 (0.49) MAPK10JUNTNIKMCHR1MAPK8
SCHEMBL10166326 0.81 MAPK10 (0.49) MAPK10JUNTNIKMCHR1MAPK8
SCHEMBL558928 0.81 MAPK10 (0.49) MAPK10JUNTNIKMCHR1MAPK8
SCHEMBL558890 0.80 TNIK (0.56) MAPK10JUNTNIKFLT3TYRO3

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 ROCK2 600/4885ROCK1 307/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ROCK2 600/4885ROCK1 307/4885MAPK10 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.