SCHEMBL13780202

SCHEMBL13780202

CNc1nc(C)nc(C)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.37
PDE4B Q07343 1/20 0.35
POLB P06746 3/20 0.34
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP2K7 O14733 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NNMT P40261 1/20 0.32
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL13828406 0.83 POLB (0.33) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL10126430 0.81 POLB (0.44) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL13780200 0.74 KDM4E (0.40) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL13780204 0.69 POLB (0.53) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL13828343 0.69 PDPK1 (0.38) POLBNNMT
SCHEMBL13780203 0.69 POLB (0.34) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL14385078 0.69 POLB (0.46) ALDH1A1MAPTPOLBKMT2AHTT
SCHEMBL3904880 0.69 NNMT (0.50) ALDH1A1MAPTPOLBKMT2AHTT
SCHEMBL353805 0.69 PDK2 (0.43) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL13828336 0.68 GFER (0.33) POLB

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 ALDH1A1 1767/4885NPSR1 2574/4885MAPT 4753/4885

“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.