SCHEMBL14059702

SCHEMBL14059702

CN1CCN(Cc2ccc(C(=O)Nc3cnc(-c4ccncc4)s3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.65
IKBKE Q14164 12/20 0.65
KIT P10721 1/20 0.59
FLT3 P36888 1/20 0.59
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
CSF1R P07333 1/20 0.53
KDR P35968 1/20 0.53
ERBB4 Q15303 1/20 0.53
MAPK14 Q16539 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BTK Q06187 1/20 0.52
ABL1 P00519 1/20 0.51
PDGFRB P09619 1/20 0.51
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51
PDGFRA P16234 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL15738750 0.91 TBK1 (0.63) TBK1IKBKEKITFLT3HDAC6
SCHEMBL15738951 0.90 TBK1 (0.66) TBK1IKBKEKITFLT3
SCHEMBL15737383 0.88 TBK1 (0.65) TBK1IKBKEKITFLT3ABL1
SCHEMBL15737742 0.88 TBK1 (0.65) TBK1IKBKE
SCHEMBL15737255 0.87 IKBKE (0.67) TBK1IKBKEKITFLT3EGFR
SCHEMBL15736046 0.85 TBK1 (0.63) TBK1IKBKEKITFLT3
SCHEMBL15737678 0.79 TBK1 (0.84) TBK1IKBKE
SCHEMBL14059032 0.79 TBK1 (1.00) TBK1IKBKE
SCHEMBL15736317 0.78 TBK1 (0.61) TBK1IKBKE
SCHEMBL14059107 0.78 TBK1 (1.00) TBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP claimed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP claimed
WO-2012161879-A1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-11-29 WO claimed
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP disclosed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
WO-2012161879-A1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-11-29 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-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 TBK1 1/4885IKBKE 17/4885KIT 3573/4885

“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.