SCHEMBL17409804

SCHEMBL17409804

CCc1ccc(NC(=O)CN2CCNCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
DEGS1 O15121 4/20 0.45
REV1 Q9UBZ9 2/20 0.44
JAK3 P52333 1/20 0.44
POLB P06746 2/20 0.44
F10 P00742 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL15986675 0.88 TSHR (0.52) GSK3BDYRK1AALDH1A1TSHR
SCHEMBL13662043 0.85 TSHR (0.69) GSK3BDYRK1AALDH1A1TSHR
SCHEMBL15986800 0.84 RAB9A (0.53) GSK3BDYRK1AALDH1A1TSHRDEGS1
SCHEMBL17409778 0.84 GSK3B (0.53) GSK3BDYRK1AALDH1A1TSHRDEGS1
SCHEMBL17409801 0.82 WNT1 (0.54) GSK3BDYRK1AALDH1A1TSHRDEGS1
SCHEMBL17403529 0.81 DEGS1 (0.49) GSK3BDYRK1AALDH1A1TSHRDEGS1
SCHEMBL17409803 0.79 GSK3B (0.55) GSK3BDYRK1AALDH1A1TSHRDEGS1
SCHEMBL2619350 0.77 HSD17B10 (0.57) TSHRDEGS1
SCHEMBL655812 0.76 MEN1 (0.64) ALDH1A1JAK3
SCHEMBL22540419 0.75 MAPT (0.59) ALDH1A1DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 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 (1 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS GSK3B 328/4885DYRK1A 693/4885ALDH1A1 4351/4885

“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.