SCHEMBL5497757

SCHEMBL5497757

Cn1ncc(NC(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.36
KAT2B Q92831 3/20 0.36
BPTF Q12830 2/20 0.36
BRD4 O60885 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL20540627 0.81 NTRK1 (0.39) MEN1KMT2A
SCHEMBL21241215 0.81 MAPK1 (0.49) BRD9KAT2BBPTFBRD4NPC1
SCHEMBL5498488 0.80 HDAC1 (0.35) RAB9ASMN1; SMN2KMT2AHDAC3HDAC1
SCHEMBL17853274 0.80 CNR2 (0.34) BRD9KAT2BBPTFSMN1; SMN2CNR2
SCHEMBL20540314 0.79 MEN1 (0.39) BRD9KAT2BBPTFBRD4NPC1
SCHEMBL16592882 0.78 KAT2B (0.33) BRD9KAT2BBPTFCNR2CYP1A2
SCHEMBL5499871 0.78 NTRK1 (0.33) BRD9BRD4CNR2CYP2C19
SCHEMBL20262466 0.78 CNR2 (0.37) BRD9KAT2BBPTFBRD4NPC1
SCHEMBL3120670 0.77 PKM (0.47) BRD4NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5501012 0.77 CA1 (0.34) BRD9KAT2BBPTFNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (2 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 BRD9 3009/4885KAT2B 328/4885BPTF 3286/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 BRD9 2975/4885KAT2B 488/4885BPTF 3903/4885

“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.