SCHEMBL685503

SCHEMBL685503

CN1CCN(COP(=O)(O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.36
MGLL Q99685 2/20 0.34
PHGDH O43175 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 2/20 0.31
HTR1A P08908 1/20 0.31
MC4R P32245 1/20 0.31

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 0.89 MAPT (0.36) LPAR3LPAR1LPAR2TDP1ALDH1A1
SCHEMBL16300835 0.82 LPAR3 (0.39) PAOXMGLLHDAC6HDAC2HDAC8
SCHEMBL6049095 0.80 MAPT (0.48) LPAR3LPAR1LPAR2ALDH1A1POLB
SCHEMBL8007175 0.79 TPI1 (0.32)
SCHEMBL680884 0.79 KDM4E (0.35) TDP1ALDH1A1KDM4EPOLB
SCHEMBL3431912 0.79 MEN1 (0.35) PAOXALDH1A1KDM4EPOLB
SCHEMBL3431909 0.79 S1PR1 (0.32) PAOX
SCHEMBL14268088 0.76 POLB (0.39) MGLLPHGDHALDH1A1POLB
SCHEMBL18705243 0.75 ANPEP (0.39) POLB
Pyrophosphoric Acid SCHEMBL31371950 0.72 TDP1 (0.56) PAOXMGLLPHGDHCYP1A2TDP1

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-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 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-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents INTELLIKINE LLC 2016-10-06 US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 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-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE LLC (US) 2013-08-15 US disclosed
US-8476282-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2013-07-02 US disclosed
US-8476431-B2 Benzoxazole kinase inhibitors and methods of use Itellikine LLC (US) 2013-07-02 US disclosed
US-8450480-B2 2013-05-28 US disclosed
US-8450329-B2 2013-05-28 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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 (11 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-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 PAOX 498/4885MGLL 1768/4885PHGDH 1884/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 PAOX 498/4885MGLL 1768/4885PHGDH 1884/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B PAOX 2380/4885MGLL 3987/4885PHGDH 768/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR PAOX 3514/4885MGLL 3390/4885PHGDH 1444/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 PAOX 1433/4885MGLL 1462/4885PHGDH 1202/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE PAOX 1241/4885MGLL 1487/4885PHGDH 1569/4885
US-20160271140-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, AURKA, AURKB PAOX 4563/4885MGLL 4365/4885PHGDH 3083/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 PAOX 498/4885MGLL 1768/4885PHGDH 1884/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 PAOX 1562/4885MGLL 2224/4885PHGDH 1885/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 PAOX 1562/4885MGLL 2224/4885PHGDH 1885/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PAOX 1631/4885MGLL 4287/4885PHGDH 907/4885

“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.