SCHEMBL16640661

SCHEMBL16640661

Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1csc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
PI4KB Q9UBF8 1/20 0.40
LCK P06239 3/20 0.39
PIK3CG P48736 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAP4K4 O95819 1/20 0.38
MAPKAPK2 P49137 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL16632865 0.83 PIK3CG (0.45) PIK3CGMEN1ALDH1A1LMNAMAPT
SCHEMBL2380472 0.81 PIK3CG (0.53) PIK3CGMEN1ALDH1A1LMNAMAPT
SCHEMBL7125440 0.80 SREBF2 (0.58) SREBF2HDAC3HDAC1HDAC2HDAC10
SCHEMBL16640659 0.78 MAPT (0.52) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL7121746 0.78 HDAC3 (0.63) SREBF2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3244009 0.78 MAPKAPK2 (0.39) LCKCA12CA1CA9MAP4K4
SCHEMBL25620110 0.76 CA12 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL16302366 0.74 CA12 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL3237383 0.73 MAPKAPK2 (0.38) LCKCA12CA1CA9MAPKAPK2
SCHEMBL10305747 0.73 MAP4K4 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC8

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
US-9670197-B2 Small molecule modifiers of the Hec1-Nek2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-9670197-B2 Small molecule modifiers of the Hec1-Nek2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-03 US disclosed
US-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-03 US disclosed
US-9422275-B2 Small molecule modifiers of the HEC1-NEK2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-23 US disclosed
US-9422275-B2 Small molecule modifiers of the HEC1-NEK2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-23 US disclosed
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-16 US disclosed
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-16 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-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 SREBF2 1397/4885HDAC3 151/4885HDAC1 94/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 SREBF2 1397/4885HDAC3 151/4885HDAC1 94/4885

“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.