SCHEMBL2060432

SCHEMBL2060432

CC(C)OC(=O)Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 12/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
CPB1 P15086 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2060217 0.88 TLR7 (0.45) TSHRTLR7ALDH1A1HSD17B10KDM4E
SCHEMBL2060460 0.86 ALDH1A1 (0.50) TSHRMAPK1MEN1KMT2ATLR7
SCHEMBL2060226 0.84 TLR7 (0.43) TSHRMAPK1TLR7ALDH1A1HSD17B10
SCHEMBL2060478 0.83 TLR7 (0.53) TSHRMAPK1TLR7LMNA
SCHEMBL2060248 0.82 TLR7 (0.42) TSHRMAPK1TLR7ALDH1A1HSD17B10
SCHEMBL5730984 0.81 TLR7 (0.45) TLR7
SCHEMBL2060646 0.80 TLR7 (0.48) TSHRTLR7ALDH1A1HSD17B10KDM4E
SCHEMBL10174942 0.80 TLR7 (0.49) TSHRMEN1KMT2ATLR7ALDH1A1
SCHEMBL2060484 0.79 KDM4E (0.45) TSHRMAPK1MEN1KMT2ATLR7
SCHEMBL2060623 0.78 TLR7 (0.49) TSHRMAPK1MEN1KMT2ATLR7

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
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TSHR 3638/4885MAPK1 2242/4885MEN1 4687/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TSHR 3638/4885MAPK1 2242/4885MEN1 4687/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TSHR 3680/4885MAPK1 2092/4885MEN1 4641/4885

“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.