SCHEMBL2719970

SCHEMBL2719970

C=CCn1c(C(=O)c2ccc(C)cc2)nc2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2971424 0.85 PKM (0.46) KDM4EPPARGPPARARAB9APKM
SCHEMBL2983401 0.74 PPARG (0.70) KDM4EPPARGPPARARAB9APKM
SCHEMBL2974870 0.74 PPARG (0.59) KDM4EPPARGPPARARAB9APKM
SCHEMBL2983405 0.74 PPARG (0.70) KDM4EPPARGPPARARAB9APKM
SCHEMBL2974866 0.74 PPARG (0.59) KDM4EPPARGPPARARAB9APKM
SCHEMBL2719218 0.74 NPC1 (0.67) KDM4EPPARGPPARARAB9APKM
SCHEMBL2719494 0.67 PPARG (0.51) KDM4EPPARGPPARARAB9APKM
SCHEMBL2719683 0.67 TMIGD3 (0.44) KDM4ERAB9APKMMAPTTSHR
SCHEMBL2972386 0.66 NPC1 (0.54) KDM4ERAB9AMAPTTSHRHPGD
SCHEMBL6420147 0.64 HTT (0.43) KDM4ERAB9APKMMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 KDM4E 1146/4885PPARG 430/4885PPARA 489/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 KDM4E 880/4885PPARG 498/4885PPARA 561/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 KDM4E 2346/4885PPARG 282/4885PPARA 411/4885

“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.