SCHEMBL559592

SCHEMBL559592

OC1CCC(Nc2ncc3ccc(O[C@@H]4CCN(Cc5ccccc5)C4)cc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.49
ROCK2 O75116 4/20 0.49
CCR2 P41597 2/20 0.47
KCNH2 Q12809 1/20 0.45
CACNA2D1 P54289 1/20 0.44
CHEK2 O96017 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
MCHR1 Q99705 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CXCR4 P61073 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL558706 1.00 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2CACNA2D1
SCHEMBL559591 1.00 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2CACNA2D1
SCHEMBL558705 1.00 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2CACNA2D1
SCHEMBL559649 0.87 CDK7 (0.44) ADORA2AADORA2BADORA1RIPK2
SCHEMBL10166353 0.87 CDK7 (0.44) ADORA2AADORA2BADORA1RIPK2
SCHEMBL559650 0.87 CDK7 (0.44) ADORA2AADORA2BADORA1RIPK2
SCHEMBL10166363 0.84 ROCK1 (0.46) ROCK1ROCK2CCR2KCNH2FLT3
SCHEMBL559276 0.84 ROCK1 (0.46) ROCK1ROCK2CCR2KCNH2FLT3
SCHEMBL559275 0.84 ROCK1 (0.46) ROCK1ROCK2CCR2KCNH2FLT3
SCHEMBL559277 0.82 MAPK8 (0.46) ADORA2AADORA2BADORA1GSK3BRIPK2

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 600/4885CCR2 751/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ROCK1 307/4885ROCK2 600/4885CCR2 751/4885

“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.