SCHEMBL4459691

SCHEMBL4459691

COc1[c]ccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SYK P43405 4/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FABP5 Q01469 1/20 0.34

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
SCHEMBL1099365 0.76 MAPT (0.52) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL5750024 0.74 POLB (0.42) KDM4EPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL4469597 0.72 MAPT (0.52) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL4463829 0.72 MAPT (0.52) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL1100171 0.72 MAPT (0.52) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL29277281 0.71 LMNA (0.47) MAPTKDM4EPDGFRBPDGFRACYP3A4
SCHEMBL624369 0.71 SYK (0.44) MAPTKDM4ESYKPDGFRBPDGFRA
SCHEMBL1099751 0.71 MAPT (0.47) MAPTKDM4ESYKCYP3A4ALDH1A1
SCHEMBL29142755 0.71 MAPT (0.47) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL96953 0.69 SYK (0.57) MAPTKDM4ESYKPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279918-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-22 CN disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (2 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 MAPT 1548/4885KDM4E 2790/4885SYK 3893/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG MAPT 859/4885KDM4E 2317/4885SYK 3539/4885

“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.