SCHEMBL943096

SCHEMBL943096

CC(=O)c1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.71
PDK2 Q15119 5/20 0.71
PDK3 Q15120 5/20 0.71
PDK4 Q16654 5/20 0.71
JAK2 O60674 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KLK7 P49862 1/20 0.49
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL6716884 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4JAK2
SCHEMBL432229 0.84 KCNK2 (0.55) PDK1PDK2PDK3PDK4JAK2
SCHEMBL13602439 0.83 PDK1 (0.58) PDK1PDK2PDK3PDK4JAK2
SCHEMBL6358595 0.83 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL27953738 0.83 KMT2A (0.63) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6510419 0.82 PDK1 (0.62) PDK1PDK2PDK3PDK4MAPT
SCHEMBL8645992 0.82 KDM4E (0.55) PDK1PDK2PDK3PDK4JAK2
SCHEMBL3591716 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4JAK2
SCHEMBL9478517 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4JAK2
SCHEMBL3600530 0.81 L3MBTL1 (0.59) PDK1PDK2PDK3PDK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 US disclosed
US-7851635-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-12-14 US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP 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 (7 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 PDK1 324/4885PDK2 314/4885PDK3 333/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B PDK1 865/4885PDK2 485/4885PDK3 572/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 PDK1 324/4885PDK2 314/4885PDK3 333/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B PDK1 865/4885PDK2 485/4885PDK3 572/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 PDK1 440/4885PDK2 394/4885PDK3 345/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 PDK1 324/4885PDK2 314/4885PDK3 333/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B PDK1 865/4885PDK2 485/4885PDK3 572/4885

“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.