SCHEMBL3453200

SCHEMBL3453200

Cc1cnc2ccc(NCCN(C)C)nn12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.56
FYN P06241 7/20 0.46
IKBKB O14920 8/20 0.46
CYP2C19 P33261 1/20 0.44
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL3453524 0.84 MKNK1 (0.55) MKNK1FYNIKBKBCYP2C19AAK1
SCHEMBL2947844 0.82 IKBKB (0.58) MKNK1FYNIKBKBAAK1
SCHEMBL3452565 0.80 FYN (0.64) MKNK1FYN
SCHEMBL3036460 0.79 FYN (0.76) MKNK1FYNIKBKB
SCHEMBL2948860 0.78 FYN (0.71) MKNK1FYNIKBKBAAK1
SCHEMBL2949007 0.77 FYN (0.77) MKNK1FYNIKBKBAAK1
SCHEMBL3452710 0.77 FYN (0.48) MKNK1FYNIKBKB
SCHEMBL4690288 0.76 MKNK1 (0.72) MKNK1FYNIKBKB
SCHEMBL3452588 0.76 MKNK1 (0.47) MKNK1FYNIKBKB
SCHEMBL17792668 0.75 FYN (0.56) MKNK1FYNIKBKB

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 5 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
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
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 MKNK1 342/4885FYN 856/4885IKBKB 524/4885

“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.