SCHEMBL17813486

SCHEMBL17813486

Cc1ncc2[nH]c(=O)n(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
PABPC1 P11940 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
IDH1 O75874 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
HAVCR2 Q8TDQ0 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA3 P0DMS8 2/20 0.37
P2RY12 Q9H244 2/20 0.37
CHRNB2 P17787 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1E P28566 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL10292522 0.81 GAA (0.53) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL29864436 0.81 LMNA (0.60) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL2265319 0.81 LMNA (0.60) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL8342879 0.79 KDM4E (0.47) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL22419384 0.78 LMNA (0.49) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL26024589 0.78 LMNA (0.49) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL2266857 0.78 CYP1A2 (0.53) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL7212031 0.74 ADORA3 (0.58) LMNAMEN1PABPC1KMT2APDE3B
SCHEMBL7688428 0.74 LMNA (0.56) LMNAMEN1PABPC1KMT2APDE3B
Hydrochloric Acid SCHEMBL10007574 0.73 MEN1 (0.44) LMNAMEN1PABPC1KMT2APDE3B

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 LMNA 2013/4885MEN1 3226/4885PABPC1 2430/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 LMNA 2013/4885MEN1 3226/4885PABPC1 2430/4885

“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.