SCHEMBL827432

SCHEMBL827432

CC(C)c1cnc2ccccc2c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GPR3 P46089 1/20 0.45
LRRK2 Q5S007 1/20 0.41
TOP2A P11388 2/20 0.41
MALT1 Q9UDY8 1/20 0.38
MPO P05164 1/20 0.38
ERN1 O75460 1/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
PDPK1 O15530 1/20 0.36
NCF1 P14598 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GABRP O00591 1/20 0.35

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
SCHEMBL22758192 0.87 KDM4E (0.41) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL22758229 0.84 MALT1 (0.41) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL10015631 0.82 KDM4E (0.44) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL20495269 0.81 NCF1 (0.46) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL23682757 0.81 ERN1 (0.50) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL22758230 0.80 MALT1 (0.44) KDM4EGPR3LRRK2MALT1MPO
SCHEMBL23027927 0.80 GPR3 (0.45) KDM4EGPR3LRRK2TOP2AMPO
SCHEMBL22758228 0.79 KDM4E (0.35) KDM4EGPR3LRRK2TOP2AMALT1
SCHEMBL21364626 0.78 KDM4E (0.44) KDM4EGPR3LRRK2MPOERN1
SCHEMBL22758231 0.78 MAOA (0.47) KDM4EGPR3LRRK2MALT1MPO

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 US disclosed
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9765078-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (12 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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS KDM4E 2745/4885GPR3 2081/4885LRRK2 419/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS KDM4E 2745/4885GPR3 2081/4885LRRK2 419/4885
US-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 KDM4E 3280/4885GPR3 4121/4885LRRK2 3088/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA KDM4E 492/4885GPR3 2423/4885LRRK2 1539/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KDM4E 774/4885GPR3 3607/4885LRRK2 1597/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 KDM4E 3280/4885GPR3 4121/4885LRRK2 3088/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC KDM4E 2585/4885GPR3 3958/4885LRRK2 1982/4885

“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.