SCHEMBL9920360

SCHEMBL9920360

[C-]#[N+]c1cnn2cccc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 4/20 0.37
MAP4K4 O95819 7/20 0.37
RIPK2 O43353 1/20 0.35
LCK P06239 1/20 0.35
DRD4 P21917 5/20 0.34
DRD3 P35462 5/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33
EGFR P00533 1/20 0.31

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
SCHEMBL9920371 0.76
SCHEMBL9920331 0.73 MAP4K4 (0.37) EPHB3MAP4K4LCKKDM4ENPC1
SCHEMBL1160390 0.71 CDK2 (0.49) EPHB3MAP4K4RIPK2LCKDRD4
SCHEMBL9920347 0.71 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL9920334 0.70 JAK1 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL9920333 0.70 JAK1 (0.58) LCKKDM4EALDH1A1JAK2JAK1
SCHEMBL9920341 0.70 JAK1 (0.58) LCKKDM4EALDH1A1JAK2JAK1
SCHEMBL9920346 0.69 JAK1 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL9920380 0.69
SCHEMBL12493142 0.69 EPHB3 (0.49) EPHB3RIPK2LCKDRD4DRD3

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 EPHB3 3982/4885MAP4K4 79/4885RIPK2 106/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 EPHB3 4351/4885MAP4K4 48/4885RIPK2 166/4885

“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.