SCHEMBL4463780

SCHEMBL4463780

CNc1c[c]c2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL249377 0.80 KEAP1 (0.48) KDM1AALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL3331314 0.77 KLK7 (0.49) KDM1AMEN1NPC1POLBPABPC1
SCHEMBL3482872 0.74 EGFR (0.36) TSHRMEN1APAF1NPC1POLB
SCHEMBL9720823 0.72 CYP2A6 (0.44) TSHRALDH1A1HPGDCYP1A2
SCHEMBL458019 0.72 CYP2A6 (0.44) TSHRALDH1A1HPGDCYP1A2
SCHEMBL27994274 0.72 ALDH1A1 (0.33) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL2314445 0.72 MAPT (0.35) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL456729 0.70 CYP2A6 (0.46) TSHRMEN1NPC1KMT2AALDH1A1
SCHEMBL7300296 0.69 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL16320747 0.69 PTGS2 (0.42) L3MBTL1

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 9 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
CN-1070487-C Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2001-09-05 CN disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 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 (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 TSHR 3979/4885KDM1A 1438/4885MEN1 4502/4885
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 TSHR 3182/4885KDM1A 1252/4885MEN1 4698/4885

“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.