SCHEMBL3452302

SCHEMBL3452302

CCCCC=Cc1cnc2ccc(NCc3ccncc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.55
MKNK1 Q9BUB5 3/20 0.50
PIM1 P11309 1/20 0.39
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
PDGFRB P09619 1/20 0.38
FGR P09769 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 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
SCHEMBL3452300 1.00 FYN (0.55) FYNMKNK1PIM1NTRK1NTRK3
SCHEMBL3452181 0.89 FYN (0.53) FYNMKNK1PIM1NTRK1NTRK3
SCHEMBL3452186 0.89 FYN (0.53) FYNMKNK1PIM1NTRK1NTRK3
SCHEMBL13110828 0.83 FYN (0.54) FYNMKNK1
SCHEMBL13110981 0.81 FYN (0.68) FYNMKNK1
SCHEMBL3453075 0.81 FYN (0.53) FYN
SCHEMBL3453073 0.81 FYN (0.53) FYN
SCHEMBL3454664 0.81 FYN (0.57) FYNMKNK1PIM1ABL1
Hydrochloric Acid SCHEMBL3451721 0.81 FYN (0.67) FYNMKNK1
Hydrochloric Acid SCHEMBL3451716 0.81 FYN (0.67) FYNMKNK1

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 2 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-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 856/4885MKNK1 342/4885PIM1 2962/4885

“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.