SCHEMBL1392181

SCHEMBL1392181

Nc1ccc(F)c(C(=O)N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 2/20 0.54
KDM4E B2RXH2 1/20 0.52
CNR1 P21554 3/20 0.52
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
PARP1 P09874 1/20 0.47
HTT P42858 2/20 0.47
PHGDH O43175 1/20 0.46
ATR Q13535 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL3093965 0.88 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL14602602 0.84 CNR1 (0.62) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL10126547 0.84 TSHR (0.59) MAPTTSHRKDM4ECNR1PARP1
SCHEMBL17774880 0.83 HSP90AA1 (0.57) MAPTTSHRKDM4EHTTSMN1; SMN2
SCHEMBL17400734 0.83 MAPT (0.52) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL16379735 0.82 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL1438540 0.82 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL15597416 0.82 KDM4E (0.73) MAPTTSHRKDM4ECNR1HTT
SCHEMBL17979877 0.82 MEN1 (0.55) MAPTTSHRKDM4ECNR1HTT
SCHEMBL256984 0.82 TSHR (0.57) MAPTTSHREPHX2KDM4ECNR1

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
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS SOUTHERN RESEARCH INSTITUTE 2020-12-10 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 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 (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-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS HCK, PDXK, NADK MAPT 1498/4885TSHR 4511/4885EPHX2 3210/4885
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS MAPT 3654/4885TSHR 3492/4885EPHX2 2295/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 MAPT 2007/4885TSHR 1504/4885EPHX2 1617/4885

“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.