SCHEMBL17478573

SCHEMBL17478573

CCCCc1ccc(Nc2nc3c(ncn3COCCO)c(=O)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.58
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
PNP P00491 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
HBB P68871 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TK1 P04183 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7688901 0.85 TK1 (0.70) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL12786366 0.79 PNP (0.70) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL16082172 0.78 PNP (0.72) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL10649363 0.77 PNP (0.64) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL8444939 0.76 MEN1 (0.80) TSHRUSP2PNPEDNRAHTR2A
Hexadecylamine SCHEMBL14742878 0.75 PNP (0.78) TSHRUSP2PNPEDNRAHTR2A
Pentadecylamine SCHEMBL16060176 0.75 PNP (0.78) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL1177923 0.75 MEN1 (0.60) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL12786344 0.74 PNP (0.77) TSHRUSP2PNPEDNRAHTR2A
SCHEMBL22875772 0.74 MEN1 (0.64) TSHRUSP2PNPEDNRAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2021-03-09 US disclosed
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2021-03-09 US disclosed
US-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2018-07-26 US disclosed
US-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2018-07-26 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
EP-3174541-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 Technische Universität Dresden (DE) 2017-06-07 EP disclosed
EP-3174545-A1 EFFICIENT INHIBITION OF HSP27 Technische Universität Dresden (DE) 2017-06-07 EP disclosed
WO-2016016267-A1 EFFICIENT INHIBITION OF HSP27 Technische Universität Dresden (DE) 2016-02-04 WO disclosed
WO-2016016268-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 Technische Universität Dresden (DE) 2016-02-04 WO disclosed
WO-2016016268-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 Technische Universität Dresden (DE) 2016-02-04 WO disclosed
WO-2016016267-A1 EFFICIENT INHIBITION OF HSP27 Technische Universität Dresden (DE) 2016-02-04 WO 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 (3 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-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 HSPB1, HSP90B1, HSP90AB1 POLA1 727/4885TSHR 3759/4885USP2 2996/4885
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 HSPB1, HSP90AB2P, HSP90B1 POLA1 1240/4885TSHR 4689/4885USP2 1096/4885
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 HSPB1, HSP90B1, HSP90AB1 POLA1 727/4885TSHR 3759/4885USP2 2996/4885

“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.