SCHEMBL13128388

SCHEMBL13128388

CN(C)C(=O)c1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 20/20 1.00

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
SCHEMBL13128391 0.88 PDK2 (1.00) PDK2
SCHEMBL13128368 0.87 PDK2 (0.77) PDK2
SCHEMBL13128367 0.85 PDK2 (1.00) PDK2
SCHEMBL13128359 0.84 PDK2 (1.00) PDK2
SCHEMBL12459998 0.81 PDK2 (1.00) PDK2
SCHEMBL13128390 0.81 PDK2 (1.00) PDK2
SCHEMBL12460683 0.79 PDK2 (1.00) PDK2
SCHEMBL13128456 0.78 PDK2 (1.00) PDK2
SCHEMBL12460211 0.78 PDK2 (1.00) PDK2
SCHEMBL13128020 0.78 PDK2 (0.85) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 — — US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 — — US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 — — US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 — — US disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 — — US disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 — — US disclosed
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (US) 2013-10-17 — — US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 — — US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 — — US disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 — — US disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 — — 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 (5 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-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof FH, PCK2, PC PDK2 8/4885
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885

“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.

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