SCHEMBL2060503

SCHEMBL2060503

CCNC(=O)CSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7206750 0.86 CXCL12 (0.45) SIRT2GAAALDH1A1HPGD
SCHEMBL2060381 0.86 CPB1 (0.48) SIRT2LMNAGLAGAAALDH1A1
SCHEMBL7206028 0.85 HSD17B10 (0.47) SIRT2LMNAALDH1A1POLB
SCHEMBL2060142 0.84 ABCB1 (0.56) GAAALDH1A1ATMHPGDTDP1
SCHEMBL7209553 0.84 TSHR (0.44) GAAALDH1A1POLBTLR7HPGD
SCHEMBL2060897 0.83 TP53 (0.50) LMNAGAAALDH1A1ATMTLR7
SCHEMBL7211816 0.82 TLR7 (0.44) GAAALDH1A1TLR7HPGD
SCHEMBL2060280 0.81 ABCB1 (0.41) SIRT2GLAGAAALDH1A1TLR7
SCHEMBL2060168 0.81 L3MBTL1 (0.45) GAAALDH1A1POLBHPGDHTT
SCHEMBL7208339 0.81 ADORA3 (0.48) LMNAALDH1A1POLBTLR7NPC1

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 SIRT2 607/4885LMNA 4385/4885GLA 4479/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 SIRT2 607/4885LMNA 4385/4885GLA 4479/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 SIRT2 565/4885LMNA 4453/4885GLA 4372/4885

“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.