SCHEMBL559275

SCHEMBL559275

O[C@H]1CC[C@H](Nc2ncc3ccc(OC4CCCN(Cc5ccccn5)C4)cc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.46
ROCK2 O75116 4/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.42
CCR2 P41597 1/20 0.42
KAT2B Q92831 1/20 0.41
POLB P06746 1/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
MAPK8 P45983 1/20 0.39
KMT2A Q03164 2/20 0.39
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL559276 1.00 ROCK1 (0.46) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1
SCHEMBL10166363 1.00 ROCK1 (0.46) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1
SCHEMBL558705 0.84 ROCK1 (0.49) ROCK1ROCK2KCNH2CCR2FLT3
SCHEMBL559592 0.84 ROCK1 (0.49) ROCK1ROCK2KCNH2CCR2FLT3
SCHEMBL558706 0.84 ROCK1 (0.49) ROCK1ROCK2KCNH2CCR2FLT3
SCHEMBL559591 0.84 ROCK1 (0.49) ROCK1ROCK2KCNH2CCR2FLT3
SCHEMBL558834 0.83 ROCK2 (0.43) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1
SCHEMBL12361712 0.83 ROCK2 (0.43) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1
SCHEMBL10166284 0.83 ROCK2 (0.43) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1
SCHEMBL558835 0.83 ROCK2 (0.43) ROCK1ROCK2ALDH1A1KDM4EL3MBTL1

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 ROCK1 307/4885ROCK2 600/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ROCK1 307/4885ROCK2 600/4885ALDH1A1 1098/4885

“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.