SCHEMBL3259727

SCHEMBL3259727

Cn1nc(-c2cccs2)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ ALDH1A1 P00352 12/20 0.56
▸ GAA P10253 8/20 0.56
▸ LMNA P02545 3/20 0.54
▸ GLA P06280 2/20 0.54
▸ HPGD P15428 6/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ FUBP1 Q96AE4 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL14008902 0.86 KDM4E (0.49) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3266000 0.81 KDM4E (0.44) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL1593531 0.78 ALDH1A1 (0.64) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL13471700 0.78 ALDH1A1 (0.60) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL12568259 0.77 ALDH1A1 (0.56) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL12090639 0.77 ALDH1A1 (0.51) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3743332 0.77 ALDH1A1 (0.51) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL5674583 0.75 ALDH1A1 (0.58) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3603965 0.74 ALDH1A1 (0.50) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL6412508 0.74 KDM4E (0.53) KDM4EL3MBTL1RXFP1ALDH1A1GAA

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-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-20110059981-A9 New Pyridine Analogues V ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 — — US disclosed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 — — US disclosed
WO-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed
US-20090318464-A1 New Pyridine Analogues V ASTRAZENECA AB (SE) 2009-12-24 — — US disclosed
US-20090312368-A1 Pyridine Analogues IV ASTRAZENECA AB (SE) 2009-12-17 — — US disclosed
US-20090286834-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2009-11-19 — — US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 — — EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
US-20080009523-A1 New Pyridine Analogues IV ASTRAZENECA AB (SE) 2008-01-10 — — US disclosed
WO-2008004942-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 — — WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
EP-1083980-B1 MODULATION OF MOLECULAR INTERACTION SITES ON RNA AND OTHER BIOMOLECULES ISIS PHARMACEUTICALS INC (US) 2007-03-21 — — EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed
US-6969763-B1 Molecular interaction sites of interleukin-2 RNA and methods of modulating the same ISIS PHARMACEUTICALS, INC. (US) 2005-11-29 — — US disclosed
WO-2003091268-A1 MOLECULAR INTERACTION SITES OF VIMENTIN RNA AND METHODS OF MODULATING THE SAME ISIS PHARMACEUTICALS, INC. (US) 2003-11-06 — — WO disclosed
WO-1999058947-A9 MODULATION OF MOLECULAR INTERACTION SITES ON RNA AND OTHER BIOMOLECULES ISIS PHARMACEUTICALS INC (US) 2000-04-20 — — 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 (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-20080009523-A1 New Pyridine Analogues IV P2RY12, P2RY4, P2RY11 KDM4E 2808/4885L3MBTL1 4802/4885RXFP1 578/4885
US-20090318464-A1 New Pyridine Analogues V P2RY12, P2RY11, P2RY13 KDM4E 3080/4885L3MBTL1 4801/4885RXFP1 519/4885
US-20090312368-A1 Pyridine Analogues IV P2RY12, P2RY4, P2RY11 KDM4E 1243/4885L3MBTL1 4845/4885RXFP1 935/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 KDM4E 3901/4885L3MBTL1 4818/4885RXFP1 680/4885
US-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 KDM4E 2897/4885L3MBTL1 4866/4885RXFP1 470/4885
US-20090286834-A1 Pyridine Analogues VI P2RY12, P2RY6, P2RY11 KDM4E 3490/4885L3MBTL1 4722/4885RXFP1 888/4885
US-20110059981-A9 New Pyridine Analogues V P2RY12, P2RY11, P2RY13 KDM4E 3080/4885L3MBTL1 4801/4885RXFP1 519/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 KDM4E 4200/4885L3MBTL1 4823/4885RXFP1 563/4885

“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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