SCHEMBL4465668

SCHEMBL4465668

CNc1cccc2cc[c]cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.38
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
EGFR P00533 1/20 0.34
PABPC1 P11940 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CDC25B P30305 1/20 0.33
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.33
RECQL P46063 3/20 0.33

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
SCHEMBL3483453 0.85 KEAP1 (0.38) KEAP1MAPTTDP1L3MBTL1RAB9A
SCHEMBL49308 0.74 KEAP1 (0.61) KEAP1TDP1RAB9AALDH1A1HPGD
SCHEMBL466417 0.74 CYP2A6 (0.54) TDP1L3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL292949 0.73 MAPK1 (0.51) MAPTMAPK1ALDH1A1HPGDTSHR
SCHEMBL5537128 0.73 CNR2 (0.48) MAPTL3MBTL1SMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL9173305 0.73 KEAP1 (0.59) KEAP1RAB9AALDH1A1HPGDHSD17B10
Iodide SCHEMBL19990734 0.73 KEAP1 (0.59) KEAP1MAPTRAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL31243299 0.73 KEAP1 (0.59) KEAP1MAPTRAB9AALDH1A1HPGD
Bromide SCHEMBL22401520 0.73 KEAP1 (0.59) KEAP1MAPTRAB9AALDH1A1HPGD
SCHEMBL2781984 0.73 ALDH1A1 (0.33) KEAP1TDP1L3MBTL1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KEAP1 2562/4885MAPT 1548/4885TDP1 657/4885
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 KEAP1 2601/4885MAPT 859/4885TDP1 1546/4885

“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.