SCHEMBL12606897

SCHEMBL12606897

CC(C)Nc1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.51
▸ L3MBTL3 Q96JM7 2/20 0.49
▸ SYK P43405 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ MBTD1 Q05BQ5 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.43
▸ IGF1R P08069 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ AVPR1B P47901 1/20 0.41

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
SCHEMBL14980018 0.83 SIGMAR1 (0.55) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL15137345 0.81 SIGMAR1 (0.57) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL13283790 0.80 SIGMAR1 (0.53) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL8009145 0.80 SIGMAR1 (0.55) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL4547889 0.80 SIGMAR1 (0.59) SIGMAR1L3MBTL3POLBHRH3L3MBTL1
SCHEMBL28069120 0.79 KDM4E (0.59) HRH3EPHX2L3MBTL1
SCHEMBL17660231 0.79 SPHK1 (0.58) HRH3L3MBTL1AVPR1B
SCHEMBL3637477 0.79 SIGMAR1 (0.51) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL7901419 0.79 SIGMAR1 (0.55) SIGMAR1L3MBTL3POLBHRH3EPHX2
SCHEMBL24022514 0.77 SIGMAR1 (0.60) SIGMAR1L3MBTL3POLBHRH3MBTD1

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
US-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 — — US disclosed
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-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-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-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-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-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 — — US disclosed
US-20140377285-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2014-12-25 — — US disclosed
US-20140357651-A1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CALITHERA BIOSCIENCES, INC. 2014-12-04 — — US disclosed
US-20140128599-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-05-08 — — 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-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 — — US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 — — US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — 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 (9 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 SIGMAR1 2384/4885L3MBTL3 4326/4885SYK 271/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE SIGMAR1 3041/4885L3MBTL3 2918/4885SYK 445/4885
US-20140377285-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 SIGMAR1 3030/4885L3MBTL3 4273/4885SYK 1922/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA SIGMAR1 4197/4885L3MBTL3 1269/4885SYK 2703/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 SIGMAR1 2384/4885L3MBTL3 4326/4885SYK 271/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B SIGMAR1 4139/4885L3MBTL3 4005/4885SYK 4517/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 SIGMAR1 3030/4885L3MBTL3 4273/4885SYK 1922/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 SIGMAR1 2591/4885L3MBTL3 1115/4885SYK 451/4885
US-20140357651-A1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CDC25C, CCNC, CDC25B SIGMAR1 4139/4885L3MBTL3 4005/4885SYK 4517/4885

“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.

Send feedback