SCHEMBL2235780

SCHEMBL2235780

COC(=O)c1ccc(Oc2cc(N)nc(SC)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.75
LMNA P02545 4/20 0.75
NPSR1 Q6W5P4 2/20 0.75
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 2/20 0.53
MAPK1 P28482 3/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLF5 Q13887 1/20 0.46
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2232946 0.86 TSHR (0.56) TSHRLMNANPSR1MAPTGAA
SCHEMBL3528996 0.84 ALDH1A1 (0.61) TSHRLMNANPSR1MAPTGAA
SCHEMBL16139281 0.83 ALDH1A1 (0.64) TSHRLMNANPSR1MAPTGAA
SCHEMBL14949522 0.77 PDGFRB (0.52) TSHRLMNANPSR1MAPTGAA
SCHEMBL12348803 0.76 TSHR (0.62) TSHRLMNANPSR1MAPTGAA
SCHEMBL23582095 0.74 ALDH1A1 (0.52) TSHRLMNANPSR1MAPTGAA
SCHEMBL31357626 0.74 ALDH1A1 (0.52) TSHRLMNANPSR1MAPTGAA
SCHEMBL4319868 0.71 ALDH1A1 (0.52) TSHRLMNANPSR1MAPTGAA
SCHEMBL4317535 0.71 LMNA (0.56) TSHRLMNANPSR1MAPTGAA
SCHEMBL8721091 0.70 ADORA2A (0.40) TSHRLMNANPSR1MAPTGAA

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-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-08-18 US disclosed
US-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-08-18 US disclosed
US-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-08-18 US disclosed
US-9260417-B2 Therapeutic methods and compositions involving allosteric kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2016-02-16 US disclosed
US-9260417-B2 Therapeutic methods and compositions involving allosteric kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2016-02-16 US disclosed
US-9260417-B2 Therapeutic methods and compositions involving allosteric kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2016-02-16 US disclosed
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2014-10-02 US disclosed
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2014-10-02 US disclosed
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2014-10-02 US disclosed
EP-2534145-A2 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION Kinagen, Inc. (US) 2012-12-19 EP disclosed
WO-2011097594-A2 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION KINAGEN, INC. (US) 2011-08-11 WO disclosed
WO-2011097594-A2 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION KINAGEN, INC. (US) 2011-08-11 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 (2 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-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION TIE1, PRKCH, PACSIN2 TSHR 3656/4885LMNA 3073/4885NPSR1 4466/4885
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION TIE1, PRKCH, PACSIN2 TSHR 3656/4885LMNA 3073/4885NPSR1 4466/4885

“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.