SCHEMBL3452669

SCHEMBL3452669

CCCCC=Cc1cnc2ccc(NCCCNC(=O)O)nn12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.55
HCAR3 P49019 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
IKBKB O14920 2/20 0.38

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
SCHEMBL3452667 1.00 FYN (0.55) FYNHCAR3MKNK1IKBKB
SCHEMBL13110808 0.86 FYN (0.70) FYNMKNK1
Fumaric Acid SCHEMBL3452560 0.86 FYN (0.61) FYNMKNK1IKBKB
SCHEMBL13110964 0.85 FYN (0.69) FYNMKNK1
SCHEMBL13110981 0.85 FYN (0.68) FYNMKNK1
Hydrochloric Acid SCHEMBL3453207 0.85 FYN (0.67) FYNMKNK1
Hydrochloric Acid SCHEMBL3451721 0.84 FYN (0.67) FYNMKNK1
Hydrochloric Acid SCHEMBL3451716 0.84 FYN (0.67) FYNMKNK1
SCHEMBL3454664 0.84 FYN (0.57) FYNMKNK1
Fumaric Acid SCHEMBL3454184 0.83 FYN (0.52) FYNHCAR3MKNK1

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-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 US disclosed
WO-2008079880-A1 6-AMINOIMIDAZO[1,2-B]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ALCON RESEARCH, LTD. (US) 2008-07-03 WO disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 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-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 FYN 856/4885HCAR3 2276/4885MKNK1 342/4885

“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.