SCHEMBL13169696

SCHEMBL13169696

Cc1cnc(Nc2ccc(O)cc2)nc1Sc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NOD2 Q9HC29 1/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
AURKA O14965 10/20 0.49
JAK2 O60674 2/20 0.48
PKM P14618 1/20 0.48
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL13169698 0.89 SYK (0.52) NPC1MITFXBP1RAB9ANPSR1
SCHEMBL13169700 0.85 ALDH1A1 (0.49) NPC1MITFXBP1RAB9ANPSR1
SCHEMBL13169906 0.84 EGFR (0.60) AURKAEGFRJAK3ITK
SCHEMBL13169694 0.82 AURKA (0.59) AURKA
SCHEMBL13169799 0.76 JAK2 (0.58) MAPTKMT2AALDH1A1SMN1; SMN2JAK2
SCHEMBL13170037 0.74 JAK2 (0.56) RAB9ANPSR1MAPTKMT2AALDH1A1
SCHEMBL13169901 0.74 EGFR (0.58) EGFRJAK3ITK
SCHEMBL13169818 0.74 JAK2 (0.58) AURKAJAK2EGFRITKHDAC1
SCHEMBL13170137 0.74 JAK2 (0.59) MAPTKMT2AALDH1A1SMN1; SMN2JAK2
SCHEMBL13170130 0.74 JAK2 (0.59) MAPTKMT2AALDH1A1SMN1; SMN2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 US disclosed
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 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 (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-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 NPC1 4321/4885MITF 2908/4885XBP1 3422/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 NPC1 4321/4885MITF 2908/4885XBP1 3422/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 NPC1 4321/4885MITF 2908/4885XBP1 3422/4885

“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.