SCHEMBL964878

SCHEMBL964878

[C]1c2ccccc2CCC1C1CC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 1/20 0.30
FADS1 O60427 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL121704 0.77 PDPK1 (0.43) PDPK1IDO1
SCHEMBL1970744 0.74 IDO1 (0.41) PDPK1IDO1
SCHEMBL7214849 0.73 HTR2A (0.40) KDM1A
SCHEMBL5256851 0.72 PDPK1 (0.39) PDPK1IDO1
SCHEMBL14990217 0.70
SCHEMBL435482 0.70
SCHEMBL316316 0.67 SRD5A1 (0.41) PDPK1IDO1
SCHEMBL8332242 0.67 KDM4E (0.31)
SCHEMBL290887 0.66 HTR2A (0.39) IDO1
SCHEMBL7980704 0.66 PRCP (0.39) PDPK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800216-B2 2011-10-26 JP claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US claimed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP claimed
JP-2007527413-A 2007-09-27 JP claimed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US claimed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP claimed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 WO claimed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US claimed
US-11219616-B2 Dosing regimens of celgosivir for the treatment of dengue 60 Degrees Pharmaceuticals, LLC (US) 2022-01-11 US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 WO disclosed
US-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 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 (3 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-11219616-B2 Dosing regimens of celgosivir for the treatment of dengue F3, DPP4, C5 PDPK1 2556/4885KDM1A 648/4885MAOA 2697/4885
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR PDPK1 20/4885KDM1A 3520/4885MAOA 4304/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR PDPK1 20/4885KDM1A 3520/4885MAOA 4304/4885

“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.