SCHEMBL3452185

SCHEMBL3452185

CCCNc1ccc2ncc(Br)n2n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.61
PIM1 P11309 2/20 0.51
CCNT1 O60563 1/20 0.51
ABL1 P00519 1/20 0.51
PGK1 P00558 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CSNK1E P49674 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK9 P50750 1/20 0.51
JAK3 P52333 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HASPIN Q8TF76 1/20 0.51
AURKB Q96GD4 1/20 0.51
MKNK1 Q9BUB5 4/20 0.45

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
SCHEMBL15254396 0.91 FYN (0.52) FYNPIM1CCNT1ABL1PGK1
SCHEMBL15255004 0.90 FYN (0.51) FYNPIM1CCNT1ABL1PGK1
SCHEMBL2946558 0.85 MKNK1 (0.61) FYNMKNK1
SCHEMBL15254301 0.85 IRAK4 (0.45) FYNMKNK1
SCHEMBL3453659 0.85 IKBKB (0.47) FYNPIM1CCNT1ABL1PGK1
SCHEMBL15254278 0.84 FYN (0.47) FYNMKNK1
SCHEMBL3453524 0.84 MKNK1 (0.55) FYNMKNK1
SCHEMBL3452716 0.84 FYN (0.62) FYNMKNK1
SCHEMBL15254917 0.83 FYN (0.44) FYNMKNK1
SCHEMBL15254573 0.82 MKNK1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196930-A2 NICOTINAMIDE- AND BENZAMIDE-BASED COMPOUNDS, CONJUGATES, AND COMPOSITIONS AS INHIBITORS OF TRANSLATIONAL- AND TRANSCRIPTIONAL-RELATED KINASES PURDUE RESEARCH FOUNDATION (US) 2023-10-12 WO 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
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 856/4885PIM1 2962/4885CCNT1 2937/4885

“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.