SCHEMBL3901950

SCHEMBL3901950

CC1CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
GHSR Q92847 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDK2 Q15119 2/20 0.48
PDK1 Q15118 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
HSD11B1 P28845 3/20 0.47
GRM5 P41594 1/20 0.47
SMO Q99835 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
CPS1 P31327 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PAX8 Q06710 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
SCHEMBL25326594 0.92 PDK2 (0.46) GAAHPGDGHSRMEN1KMT2A
SCHEMBL21831235 0.92 PDK2 (0.46) GAAHPGDGHSRMEN1KMT2A
SCHEMBL17098969 0.90 GAA (0.60) GAAHPGDMEN1KMT2APDK2
SCHEMBL25883371 0.87 GAA (0.51) GAAHPGDGHSRMEN1KMT2A
SCHEMBL21910467 0.84 GHSR (0.43) GAAHPGDGHSRMEN1KMT2A
SCHEMBL21911585 0.84 SETD7 (0.47) GAAHPGDGHSRMEN1KMT2A
SCHEMBL30554411 0.84 SETD7 (0.47) GAAHPGDGHSRMEN1KMT2A
SCHEMBL3711592 0.83 GHSR (0.58) GAAHPGDGHSRPDK2PDK1
SCHEMBL28878111 0.83 GHSR (0.58) GAAHPGDGHSRPDK2PDK1
SCHEMBL28878114 0.83 GHSR (0.58) GAAHPGDGHSRPDK2PDK1

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 13 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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 (4 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 GAA 2036/4885HPGD 308/4885GHSR 3424/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 GAA 4026/4885HPGD 1492/4885GHSR 3038/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 GAA 2982/4885HPGD 587/4885GHSR 1773/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 GAA 4207/4885HPGD 1987/4885GHSR 2714/4885

“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.