SCHEMBL5494790

SCHEMBL5494790

Cn1ncc(NC=O)c1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.37
BRD9 Q9H8M2 5/20 0.37
BPTF Q12830 9/20 0.36
MAPK1 P28482 1/20 0.33
BRD4 O60885 4/20 0.32
ALOX15 P16050 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
FYN P06241 1/20 0.30
HIF1A Q16665 1/20 0.30
KAT2A Q92830 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD7 Q9NPI1 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
Carbamic Acid SCHEMBL3114442 0.90 BPTF (0.32) KAT2BBRD9BPTFBRD4
Carbamic Acid SCHEMBL3123581 0.90 BPTF (0.32) KAT2BBRD9BPTFBRD4
SCHEMBL27805081 0.77 BRD4 (0.36) KAT2BBPTFMAPK1BRD4
SCHEMBL10077713 0.75 MAPT (0.40)
SCHEMBL20828226 0.74 KAT2B (0.35) KAT2BBRD9BPTFMAPK1BRD4
SCHEMBL5499545 0.74 CYP1A2 (0.33)
SCHEMBL5497757 0.72 BRD9 (0.36) KAT2BBRD9BPTFMAPK1BRD4
SCHEMBL9324762 0.71 HIF1A (0.31) KAT2BBRD9MAPK1HIF1A
SCHEMBL2067300 0.68
SCHEMBL17853274 0.67 CNR2 (0.34) KAT2BBRD9BPTF

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 8 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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO 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 KAT2B 328/4885BRD9 3009/4885BPTF 3286/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KAT2B 488/4885BRD9 2975/4885BPTF 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.