SCHEMBL17115258

SCHEMBL17115258

CN(C)c1ccc2c(=S)c3ccncc3oc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.37
MAPT P10636 2/20 0.35
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDO2 P48775 5/20 0.35
IDO1 P14902 2/20 0.35
CCR4 P51679 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL25255269 0.86 CCR4 (0.41) MAPTSMN1; SMN2KMT2ARAB9ACCR4
SCHEMBL17115259 0.77 ROCK2 (0.50) ROCK2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17115265 0.73 IDO1 (0.43) ROCK2MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL19257440 0.72 EGFR (0.41) MAPTCHRM5CHKASMN1; SMN2KMT2A
SCHEMBL22373976 0.69 TDO2 (0.50) ROCK2SMN1; SMN2NPC1RAB9ATDO2
SCHEMBL4401625 0.69 TNKS (0.47) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL11885001 0.69 IDO1 (0.46) ROCK2TDO2IDO1
SCHEMBL840516 0.69 KDM4E (0.48) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL25477519 0.69 ROCK2 (0.43) ROCK2MAPTKMT2ANPC1RAB9A
SCHEMBL25476961 0.69 ROCK2 (0.40) ROCK2MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
WO-2015143349-A1 NEW IMAGING AGENTS AND METHODS OF IDENTIFYING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-24 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 (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-20170183356-A1 New Imaging Agents and Methods of Identifying Same DDX3X, DDX21, DAXX ROCK2 277/4885MAPT 2313/4885CHRM5 4605/4885

“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.