SCHEMBL6418533

SCHEMBL6418533

N=C1NC(=O)C(=Cc2ccc3ncncc3c2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MRE11 P49959 1/20 0.51
CLK1 P49759 4/20 0.50
DYRK1A Q13627 4/20 0.50
DYRK1B Q9Y463 4/20 0.50
PIK3CD O00329 3/20 0.50
CSNK2A2 P19784 3/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CG P48736 3/20 0.50
CSNK2B P67870 3/20 0.50
CSNK2A1 P68400 3/20 0.50
DYRK2 Q92630 3/20 0.50
CLK3 P49761 2/20 0.50
HASPIN Q8TF76 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PIM1 P11309 1/20 0.50
MYLK2 Q9H1R3 1/20 0.50
STK17A Q9UEE5 1/20 0.50
PIP4K2B P78356 4/20 0.49

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
SCHEMBL3862949 0.85 PIM1 (0.69) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL3862951 0.85 PIM1 (0.69) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL497022 0.81 CLK1 (0.74) MEN1KMT2AMRE11CLK1DYRK1A
SCHEMBL497023 0.81 CLK1 (0.74) MEN1KMT2AMRE11CLK1DYRK1A
SCHEMBL2883201 0.78 CLK1 (0.77) MEN1KMT2AMRE11CLK1DYRK1A
SCHEMBL2883203 0.78 CLK1 (0.77) MEN1KMT2AMRE11CLK1DYRK1A
SCHEMBL4441520 0.77 ADAMTS5 (0.46) CLK1DYRK1ADYRK1BPIK3CDCSNK2A2
SCHEMBL14033097 0.77 DYRK3 (0.70) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL27602724 0.76 CLK1 (0.44) MEN1KMT2AMRE11CLK1DYRK1A
SCHEMBL2882464 0.74 MEN1 (0.50) MEN1KMT2AMRE11CLK1DYRK1A

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-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MEN1 3768/4885KMT2A 2969/4885MRE11 4678/4885

“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.