SCHEMBL3887641

SCHEMBL3887641

Cc1cc(C)cc(-c2nc(N)sc2-c2ccnc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
XBP1 P17861 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TGFBR1 P36897 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3888126 0.88 MAPK14 (0.70) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL13741468 0.86 ALDH1A1 (0.64) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL6280480 0.84 KDM4E (0.61) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL3890113 0.83 MAPT (0.54) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL3890218 0.83 MAPT (0.56) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL6545841 0.81 MAPT (0.61) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL7020287 0.80 MAPT (0.48) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL1254661 0.79 MAPT (0.63) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL3887771 0.78 MAPT (0.54) MAPK14MAPTKDM4ELMNAMAPK1
SCHEMBL22394699 0.77 CD274 (0.64) MAPK14MAPTKDM4ELMNAMAPK1

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
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885MAPT 2844/4885KDM4E 4034/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885MAPT 1064/4885KDM4E 2793/4885

“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.