SCHEMBL7707337

SCHEMBL7707337

COC(=O)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
BRD4 O60885 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
PARP1 P09874 1/20 0.43
MAP2K4 P45985 1/20 0.42
FLT3 P36888 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NR2F2 P24468 1/20 0.41
MCL1 Q07820 1/20 0.41
KLF5 Q13887 1/20 0.41

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
SCHEMBL11371074 0.84 RHEB (0.39) KDM4ELMNAMAPTKMT2AHTT
SCHEMBL7705454 0.83 PIN1 (0.53) KDM4ELMNAHRH4MAPTKMT2A
SCHEMBL8071535 0.83 HRH4 (0.47) MPOKDM4ELMNAHRH4MAPT
SCHEMBL31024218 0.82 ALDH1A1 (0.40) KDM4ELMNABRD4MAPTKMT2A
SCHEMBL29500514 0.82 MAPT (0.44) KDM4ELMNAHRH4MAPTKMT2A
SCHEMBL7705452 0.82 NR4A2 (0.48) HRH4MAPTKMT2AF2HRH3
SCHEMBL4314310 0.82 MAPT (0.44) KDM4ELMNAHRH4MAPTKMT2A
SCHEMBL13748011 0.82 MMP2 (0.50) MAPTKMT2AF2FLT3HTT
SCHEMBL5510194 0.81 HRH4 (0.51) MPOKDM4ELMNABRD4HRH4
SCHEMBL17161367 0.81 HRH4 (0.47) KDM4ELMNAHRH4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A MPO 545/4885KDM4E 3148/4885LMNA 3013/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A MPO 545/4885KDM4E 3148/4885LMNA 3013/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A MPO 545/4885KDM4E 3148/4885LMNA 3013/4885

“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.