SCHEMBL16632955

SCHEMBL16632955

Cc1cc(NC(=O)C2CC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
PARP1 P09874 1/20 0.52
LMNA P02545 5/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
STAT3 P40763 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ABL1 P00519 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MPL P40238 2/20 0.46
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL16633138 0.87 PARP1 (0.61) MAPTPARP1LMNATSHRMAPK1
SCHEMBL12301000 0.86 MAPT (0.58) MAPTPARP1LMNATSHRMAPK1
SCHEMBL12248431 0.84 MAPT (0.64) MAPTPARP1LMNATSHRMAPK1
SCHEMBL12249029 0.82 LMNA (0.63) MAPTPARP1LMNATSHRMAPK1
SCHEMBL14992339 0.82 MAPT (0.62) MAPTPARP1LMNATSHRMAPK1
SCHEMBL16632799 0.82 MAPT (0.66) MAPTPARP1LMNATSHRMAPK1
SCHEMBL16632785 0.82 MAPT (0.61) MAPTPARP1LMNATSHRMAPK1
SCHEMBL2381353 0.82 MAPT (0.61) MAPTPARP1LMNATSHRMAPK1
SCHEMBL16633072 0.81 PARP1 (0.54) MAPTPARP1LMNATSHRMAPK1
SCHEMBL16640659 0.81 MAPT (0.52) MAPTPARP1LMNATSHRMAPK1

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 MAPT 4133/4885PARP1 1443/4885LMNA 3240/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 MAPT 4133/4885PARP1 1443/4885LMNA 3240/4885

“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.