SCHEMBL1921049

SCHEMBL1921049

Nc1n[c]ccc1C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.30
ACHE P22303 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
SCHEMBL26917325 0.69 NAPRT (0.61) CES1MAPK1
Hydrochloric Acid SCHEMBL27227698 0.68 NAPRT (0.59) CES1MAPK1
SCHEMBL8856874 0.66 CES1 (0.39) CES1MAPK1HTTIDO1PLA2G2D
SCHEMBL6281925 0.64 CES1 (0.34) CES1MAPK1HTTIDO1PLA2G2D
SCHEMBL3037744 0.63 MAPT (0.50) CES1MAPK1HTTIDO1PLA2G2D
SCHEMBL30371054 0.63 MAPT (0.50) CES1MAPK1HTTIDO1PLA2G2D
SCHEMBL17265820 0.62 KDM4E (0.42) CES1MAPK1HTTIDO1PLA2G2D
SCHEMBL31146203 0.62 KDM4E (0.47) CES1MAPK1HTT
SCHEMBL9100531 0.62 KDM4E (0.39) MAPK1
SCHEMBL28239864 0.61 IKBKB (0.66) CES1IDO1PLA2G2DACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
EP-2326639-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-01 EP disclosed
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO 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 (2 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT CES1 3340/4885MAPK1 2197/4885HTT 1488/4885
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors GSK3B, GSK3A, GSKIP CES1 2631/4885MAPK1 163/4885HTT 3768/4885

“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.