SCHEMBL4148108

SCHEMBL4148108

Oc1ccc(-c2cnc(NCCc3ccncc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PTGDR Q13258 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 2/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
RPS6KB1 P23443 1/20 0.38
TYK2 P29597 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
SCHEMBL4148649 0.83 PTGDR (0.39) FYNMKNK1MKNK2PTGDRSMN1; SMN2
SCHEMBL4139796 0.80 CYP1A2 (0.47) MKNK1MKNK2PTGDRSMN1; SMN2ALDH1A1
SCHEMBL4139867 0.80 TPH1 (0.45) MKNK1MKNK2PTGDRKDM4EGAA
SCHEMBL4139805 0.78 FYN (0.56) FYNPIK3CAPTGDRSMN1; SMN2ALDH1A1
SCHEMBL4147501 0.78 CCNT1 (0.46) FYNMKNK1MKNK2PTGDRCCNT1
SCHEMBL4160480 0.75 PDGFRB (0.50) MKNK1MKNK2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4156800 0.74 NAMPT (0.57) PTGDRSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4152322 0.74 MKNK1 (0.43) FYNMKNK1MKNK2SMN1; SMN2HTT
SCHEMBL4155222 0.73 TPH1 (0.59) SMN1; SMN2ALDH1A1KDM4EGAACLK4
SCHEMBL4143605 0.73 HIF1A (0.47) FYNKDM4EHIF1AROCK2MAP4K4

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT FYN 114/4885MKNK1 210/4885MKNK2 213/4885

“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.