SCHEMBL2060341

SCHEMBL2060341

Cc1ccc(Cn2c(Br)nc3c(N)nc(NCC(O)CO)nc32)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.45
▸ ADORA1 P30542 7/20 0.45
▸ ADORA2B P29275 6/20 0.45
▸ TMIGD3 P0DMS9 3/20 0.45
▸ TLR7 Q9NYK1 6/20 0.44
▸ CDK2 P24941 5/20 0.38
▸ CCNE2 O96020 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK9 P50750 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35

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
SCHEMBL2060312 0.89 TLR7 (0.44) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060252 0.87 CDK2 (0.43) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060449 0.86 TLR7 (0.51) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060188 0.83 ADORA2A (0.44) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060179 0.75 TLR7 (0.52) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060338 0.75 TLR7 (0.52) TLR7
SCHEMBL10309723 0.73 ADORA2A (0.44) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7205539 0.73 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL28929629 0.72 TMIGD3 (0.56) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL31042226 0.71 TLR7 (0.65) ADORA2AADORA1ADORA2BTMIGD3TLR7

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 5 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
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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ADORA2A 6/4885ADORA1 1/4885ADORA2B 29/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA2A 4/4885ADORA1 1/4885ADORA2B 17/4885

“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.

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