SCHEMBL4415857

SCHEMBL4415857

c1ccc2c(c1)cnn2[C@@H]1CCCN(Cc2ccncc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
ROCK2 O75116 8/20 0.44
ROCK1 Q13464 5/20 0.44
CCR2 P41597 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42

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
SCHEMBL5640741 0.77 ROCK1 (0.51) CYP1A2CYP3A4KMT2AALDH1A1MEN1
SCHEMBL31495775 0.74 DDB1 (0.50) NPC1RAB9A
SCHEMBL29303151 0.74 DDB1 (0.50) CYP1A2NPC1RAB9A
SCHEMBL29152986 0.73 DDB1 (0.49) ALDH1A1
SCHEMBL5639528 0.72 ROCK2 (0.46) ALDH1A1MAPK1ROCK2ROCK1CCR2
SCHEMBL5640699 0.71 ROCK2 (0.47) KMT2AMEN1ROCK2ROCK1CCR2
SCHEMBL5642918 0.71 ROCK1 (0.44) ROCK2ROCK1CCR2KDM4ELMNA
SCHEMBL17404486 0.71 DDB1 (0.53) CYP1A2NPC1RAB9A
SCHEMBL3858660 0.71 PDE2A (0.49) ROCK2ROCK1CCR2
SCHEMBL31587047 0.71 DRD2 (0.49) KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 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-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK2, ROCK1, CIT CYP1A2 4400/4885CYP3A4 4572/4885CYP2C9 4421/4885

“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.