SCHEMBL3699804

SCHEMBL3699804

CC=CC(=O)Nc1cccc(Sc2ccnc(Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GRM4 Q14833 2/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3699801 1.00 MEN1 (0.47) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL3697492 0.86 BTK (0.56) NPC1RAB9ASMN1; SMN2GRM4BTK
SCHEMBL3690885 0.75 JAK2 (0.72) JAK2TYK2JAK3EGFR
SCHEMBL13170013 0.75 JAK2 (0.72) JAK2TYK2JAK3EGFR
SCHEMBL3690888 0.75 JAK2 (0.72) JAK2TYK2JAK3EGFR
SCHEMBL13170019 0.74 JAK2 (0.64) JAK2TYK2JAK3EGFR
SCHEMBL15466548 0.74 JAK2 (0.64) JAK2TYK2JAK3EGFR
SCHEMBL3696161 0.73 ALDH1A1 (0.49) MAPTNPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL7665445 0.72 GRM5 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3699148 0.72 TGM2 (0.47) LMNATRPV1BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114900-B1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2018-10-10 EP 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-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-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 MEN1 2801/4885KMT2A 1122/4885MAPT 3933/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 MEN1 2801/4885KMT2A 1122/4885MAPT 3933/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 MEN1 2801/4885KMT2A 1122/4885MAPT 3933/4885

“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.