SCHEMBL324455

SCHEMBL324455

[c]1cnnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.31
CYP3A4 P08684 1/20 0.30
ESRRA P11474 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
SCHEMBL535842 0.64 POLB (0.38) NOTUMKDM4EHPGDGAACYP3A4
SCHEMBL633199 0.64 NOTUM (0.39) NOTUMKDM4EHPGDGAAP2RX7
SCHEMBL535336 0.62 KDM4E (0.37) KDM4EHPGDGAA
SCHEMBL536187 0.61 KDM4E (0.35) KDM4EHPGDGAA
SCHEMBL794810 0.61 MEN1 (0.38) NOTUMKDM4EP2RX7
SCHEMBL535505 0.61 KDM4E (0.35) MGLLKDM4EHPGDGAA
SCHEMBL356155 0.61 MAPK1 (0.40) KDM4EHPGDGAA
SCHEMBL536074 0.61 LMNA (0.38) KDM4EHPGDGAA
SCHEMBL3938152 0.60 NPC1 (0.38) NOTUMKDM4EP2RX7
SCHEMBL4800641 0.59 CYP3A4 (0.39) NOTUMKDM4EHPGDGAACYP3A4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
CN-102958914-B 1-phenyl substituted heterocyclic derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-05-27 CN disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
US-4451561-A Heat-development-type image recording material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-05-29 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 (8 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ NOTUM 2808/4885MGLL 3030/4885KDM4E 917/4885
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 NOTUM 4111/4885MGLL 4876/4885KDM4E 2131/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 NOTUM 4077/4885MGLL 4877/4885KDM4E 2158/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 NOTUM 3819/4885MGLL 4861/4885KDM4E 2495/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP NOTUM 272/4885MGLL 1442/4885KDM4E 956/4885
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 NOTUM 3625/4885MGLL 1176/4885KDM4E 3620/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ NOTUM 2808/4885MGLL 3030/4885KDM4E 917/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ NOTUM 2808/4885MGLL 3030/4885KDM4E 917/4885

“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.