SCHEMBL13110962

SCHEMBL13110962

CCCC/C=C/c1cnc2ccc(NCCCN3CCCC3=O)nn12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.48
▸ RXFP1 Q9HBX9 11/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ LMNA P02545 1/20 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
Hydrochloric Acid SCHEMBL3454015 0.99 FYN (0.47) FYNRXFP1ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL3454019 0.99 FYN (0.47) FYNRXFP1ALDH1A1KDM4EKMT2A
SCHEMBL13110998 0.85 FYN (0.53) FYNMKNK1HSD17B10
Hydrochloric Acid SCHEMBL3454592 0.84 FYN (0.52) FYNMKNK1HSD17B10
Hydrochloric Acid SCHEMBL3454589 0.84 FYN (0.52) FYNMKNK1HSD17B10
SCHEMBL13110965 0.83 FYN (0.53) FYNMKNK1HSD17B10PGK1
Hydrochloric Acid SCHEMBL3453925 0.82 FYN (0.52) FYNMKNK1HSD17B10PGK1
Hydrochloric Acid SCHEMBL3453930 0.82 FYN (0.52) FYNMKNK1HSD17B10PGK1
SCHEMBL3454005 0.81 FYN (0.50) FYNALDH1A1KDM4EKMT2ANPC1
SCHEMBL3454008 0.81 FYN (0.50) FYNALDH1A1KDM4EKMT2ANPC1

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 FYN 856/4885RXFP1 591/4885ALDH1A1 3762/4885

“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.

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