SCHEMBL4147357

SCHEMBL4147357

[CH]1C=CC(c2cnc(NCCc3ccncc3)cn2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.35
MKNK2 Q9HBH9 12/20 0.35
CCNT1 O60563 1/20 0.34
FYN P06241 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH3 Q9ULD8 1/20 0.32
PTGDR Q13258 1/20 0.31
FLT3 P36888 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL4148108 0.71 FYN (0.41) MKNK1MKNK2CCNT1FYNHTT
SCHEMBL4152322 0.69 MKNK1 (0.43) MKNK1MKNK2CCNT1FYNCYP1A2
SCHEMBL4148649 0.68 PTGDR (0.39) MKNK1MKNK2CCNT1FYNCYP1A2
SCHEMBL4139867 0.68 TPH1 (0.45) MKNK1MKNK2CCNT1HTTKCNH3
SCHEMBL4139796 0.66 CYP1A2 (0.47) MKNK1MKNK2CYP1A2CYP3A4CYP2D6
SCHEMBL4139805 0.66 FYN (0.56) FYNCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4147501 0.66 CCNT1 (0.46) MKNK1MKNK2CCNT1FYNPTGDR
SCHEMBL4160480 0.66 PDGFRB (0.50) MKNK1MKNK2CCNT1HTTSMN1; SMN2
SCHEMBL4161155 0.65 PTGDR (0.51) MKNK1MKNK2CCNT1HTTKCNH3
SCHEMBL4142715 0.65 MKNK1 (0.48) MKNK1MKNK2CCNT1FYNSMN1; SMN2

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 MKNK1 210/4885MKNK2 213/4885CCNT1 3712/4885

“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.