SCHEMBL680884

SCHEMBL680884

CC(C)N1CCN(COP(=O)(O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DAO P14920 1/20 0.33
MAOB P27338 4/20 0.33
KCNH2 Q12809 3/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
HRH3 Q9Y5N1 4/20 0.31
TACR2 P21452 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL28843653 0.84 MAPT (0.36) KDM4EALDH1A1POLBTDP1MAPT
SCHEMBL10175171 0.82 DAO (0.38) KDM4EALDH1A1POLBSIGMAR1DAO
SCHEMBL685503 0.79 PAOX (0.36) KDM4EALDH1A1POLBTDP1
SCHEMBL6049095 0.76 MAPT (0.48) ALDH1A1POLBL3MBTL1MAPTPKM
SCHEMBL8007175 0.75 TPI1 (0.32) MAPT
SCHEMBL14268088 0.72 POLB (0.39) ALDH1A1POLBSIGMAR1HRH3
SCHEMBL10240791 0.71 HRH3 (0.38) KCNH2HRH3
SCHEMBL19361712 0.71 DAO (0.35) KDM4EALDH1A1SIGMAR1DAOMAOB
SCHEMBL13257752 0.71 HRH3 (0.33) KDM4EALDH1A1KCNH2HRH3CYP2D6
SCHEMBL18705243 0.71 ANPEP (0.39) POLBSIGMAR1KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents INTELLIKINE LLC 2016-10-06 US disclosed
US-20160271140-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARMACEUTICALS, INC. 2016-09-22 US disclosed
US-9345706-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE, LLC (US) 2016-05-24 US disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 US disclosed
US-8476431-B2 Benzoxazole kinase inhibitors and methods of use Itellikine LLC (US) 2013-07-02 US disclosed
US-8476282-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2013-07-02 US disclosed
US-8450329-B2 2013-05-28 US disclosed
US-8450480-B2 2013-05-28 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 US 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 (13 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 KDM4E 1108/4885ALDH1A1 4685/4885POLB 2650/4885
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 KDM4E 992/4885ALDH1A1 4042/4885POLB 3912/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 KDM4E 992/4885ALDH1A1 4042/4885POLB 3912/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B KDM4E 1873/4885ALDH1A1 2340/4885POLB 313/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 KDM4E 770/4885ALDH1A1 4739/4885POLB 1654/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE KDM4E 529/4885ALDH1A1 4673/4885POLB 3346/4885
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 KDM4E 2247/4885ALDH1A1 4335/4885POLB 3205/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA KDM4E 1551/4885ALDH1A1 4335/4885POLB 1687/4885
US-20160271140-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, AURKA, AURKB KDM4E 1898/4885ALDH1A1 3927/4885POLB 1620/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 KDM4E 992/4885ALDH1A1 4042/4885POLB 3912/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 KDM4E 3933/4885ALDH1A1 1326/4885POLB 1201/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 KDM4E 3933/4885ALDH1A1 1326/4885POLB 1201/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KDM4E 1473/4885ALDH1A1 3979/4885POLB 1247/4885

“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.