SCHEMBL8378167

SCHEMBL8378167

Cc1nccn1C1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
F10 P00742 1/20 0.36
GRM5 P41594 2/20 0.33
GRM1 Q13255 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 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
SCHEMBL18250727 0.92
SCHEMBL18250691 0.84 KDM4E (0.38) F10GRM1ALDH1A1POLBKMT2A
SCHEMBL18250732 0.84 F10 (0.37) CYP11B2F10ALDH1A1POLBKMT2A
SCHEMBL4964108 0.82 KDM4E (0.40) F10GRM1KDM4E
SCHEMBL11015922 0.82 KDM4E (0.40) F10GRM1KDM4E
SCHEMBL7893572 0.80 OPRM1 (0.40) F10KDM4E
SCHEMBL18322563 0.80 F10 (0.36) F10ALDH1A1POLBKMT2AKDM4E
SCHEMBL3312030 0.79 MEN1 (0.39) F10ALDH1A1KMT2A
SCHEMBL18322749 0.79 HCAR1 (0.38) F10ALDH1A1POLBKMT2AHPGD
SCHEMBL13331620 0.77 F10 (0.34) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP 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
EP-3153023-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2017-04-12 EP disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 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-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-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20140128599-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-05-08 US disclosed
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-01-30 US disclosed
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE LLC (US) 2013-08-15 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-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 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 (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-20140128599-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 CYP11B2 880/4885F10 3449/4885GRM5 993/4885
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 CYP11B2 880/4885F10 3449/4885GRM5 993/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 CYP11B2 880/4885F10 3449/4885GRM5 993/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B CYP11B2 277/4885F10 4582/4885GRM5 3764/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR CYP11B2 1318/4885F10 4481/4885GRM5 1345/4885
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 CYP11B2 880/4885F10 3449/4885GRM5 993/4885
US-20160271140-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, AURKA, AURKB CYP11B2 2960/4885F10 4562/4885GRM5 4724/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR CYP11B2 2400/4885F10 4148/4885GRM5 2960/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 CYP11B2 880/4885F10 3449/4885GRM5 993/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 CYP11B2 114/4885F10 2976/4885GRM5 978/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 CYP11B2 114/4885F10 2976/4885GRM5 978/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 CYP11B2 1406/4885F10 4602/4885GRM5 2461/4885

“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.