SCHEMBL15737243

SCHEMBL15737243

O=C(Nc1cnc(-c2ccncc2)s1)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TBK1 Q9UHD2 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 1/20 0.56
PTBP1 P26599 1/20 0.56
KLF5 Q13887 1/20 0.56
TSHR P16473 1/20 0.54
NPC1 O15118 3/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
GPR142 Q7Z601 1/20 0.50
PRKACA P17612 1/20 0.49
ROCK1 Q13464 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL15738283 0.79 TBK1 (0.57) TBK1SMN1; SMN2NPC1RAB9AGPR142
SCHEMBL17318683 0.78 NPC1 (0.77) ALDH1A1TBK1SMN1; SMN2HTTNPC1
SCHEMBL7530819 0.78 RAB9A (0.62) ALDH1A1SMN1; SMN2HTTLMNAPTBP1
SCHEMBL15737508 0.77 TBK1 (0.58) TBK1GPR142PRKACAROCK1MAPK1
SCHEMBL15737873 0.76 TBK1 (0.58) TBK1SMN1; SMN2LMNANPC1KMT2A
SCHEMBL15738606 0.75 TBK1 (0.60) ALDH1A1TBK1SMN1; SMN2GAAGPR142
SCHEMBL15737940 0.74 PRKACA (0.47) ALDH1A1TBK1HTTLMNAKMT2A
SCHEMBL13357509 0.74 PRKACA (0.70) ALDH1A1SMN1; SMN2GAAGPR142PRKACA
SCHEMBL6667286 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNAPTBP1
SCHEMBL15737242 0.73 IKBKE (0.59) ALDH1A1TBK1SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US claimed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US claimed

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-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 ALDH1A1 3473/4885TBK1 1/4885SMN1; SMN2 3743/4885

“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.