SCHEMBL4920877

SCHEMBL4920877

NC(=O)c1cccc(Nc2nc(NC3CCCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.53
CDK2 P24941 1/20 0.53
SYK P43405 12/20 0.50
IGF1R P08069 1/20 0.49
ADORA3 P0DMS8 4/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
CDK19 Q9BWU1 1/20 0.44
ALK Q9UM73 1/20 0.44

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
SCHEMBL4920899 0.86 ADORA3 (0.53) SYKIGF1RADORA3ADORA2AADORA1
SCHEMBL21601504 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1
SCHEMBL21601563 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1
SCHEMBL21601510 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1
SCHEMBL31061104 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1
SCHEMBL10171951 0.81 IRAK4 (0.63)
SCHEMBL4909020 0.80 ADORA3 (0.48) ADORA3ADORA2AADORA1
SCHEMBL7104515 0.80 ADORA3 (0.64) SYKADORA3ADORA2AADORA1
SCHEMBL4649801 0.79 NEK2 (0.55) NEK2CDK2SYKCDK19ALK
SCHEMBL4916898 0.78 ADORA3 (0.45) SYKADORA3ADORA2AADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK NEK2 609/4885CDK2 252/4885SYK 613/4885

“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.