SCHEMBL7893573

SCHEMBL7893573

CON=C1CC(C(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HSD11B1 P28845 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
SCHEMBL10326721 0.83 MMP1 (0.33)
SCHEMBL19173583 0.79 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL7892131 0.77
SCHEMBL7900716 0.70
SCHEMBL7537717 0.69
SCHEMBL7808288 0.68 HSD11B1 (0.45) HSD11B1
SCHEMBL18922374 0.68 ZDHHC7 (0.31)
SCHEMBL19173641 0.67
SCHEMBL4752634 0.67 HSD11B1 (0.31) HSD11B1
SCHEMBL12247796 0.66

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-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-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-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 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-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-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-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 (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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 NOS3 2984/4885NOS1 4194/4885NOS2 3771/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B NOS3 3297/4885NOS1 3617/4885NOS2 3177/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR NOS3 3533/4885NOS1 3705/4885NOS2 3494/4885
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 NOS3 2984/4885NOS1 4194/4885NOS2 3771/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA NOS3 4689/4885NOS1 4295/4885NOS2 4393/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 NOS3 2984/4885NOS1 4194/4885NOS2 3771/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B NOS3 3297/4885NOS1 3617/4885NOS2 3177/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 NOS3 4051/4885NOS1 4292/4885NOS2 3791/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 NOS3 2054/4885NOS1 2386/4885NOS2 2214/4885

“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.