SCHEMBL17813554

SCHEMBL17813554

Cc1ccc2oc(=O)n(C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KCNJ1 P48048 1/20 0.33
PKM P14618 4/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
MAT2A P31153 1/20 0.32
ADORA2B P29275 1/20 0.32
S100A4 P26447 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CCR1 P32246 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
SCHEMBL16362082 0.80 MAOB (0.33) KMT2AMEN1KCNJ1PKMPOLB
SCHEMBL8343894 0.79 CCR1 (0.38) NOS1NOS2KMT2AMEN1POLB
SCHEMBL9589486 0.77 MIF (0.37) KMT2AMEN1POLBALDH1A1CD74
SCHEMBL16361866 0.75 DDB1 (0.36) KCNJ1PKMPOLBALDH1A1HPGD
SCHEMBL6266360 0.75 THRB (0.40) KMT2AMEN1ALDH1A1CD74MIF
SCHEMBL17813544 0.73 PIK3CD (0.34) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL9591350 0.72 TMEM97 (0.53) NOS1NOS2ALDH1A1KDM4E
SCHEMBL19153173 0.70 ALDH1A1 (0.34) KMT2AMEN1PKMPOLBALDH1A1
SCHEMBL3631217 0.70 KDM4E (0.54) KMT2APKMPOLBALDH1A1HPGD
SCHEMBL16362072 0.70 ALDH1A1 (0.33) KMT2AMEN1PKMPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 NOS1 4751/4885NOS2 4795/4885KMT2A 372/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 NOS1 4751/4885NOS2 4795/4885KMT2A 372/4885

“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.