SCHEMBL10309752

SCHEMBL10309752

Cc1ccc(CSc2nc(N)c3nc(O)n(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL7208339 0.93 ADORA3 (0.48) RAB9AADORA3TSHRPOLBALDH1A1
SCHEMBL7210357 0.90 DRD2 (0.46) RAB9AADORA3ALDH1A1MAPTHSP90AA1
SCHEMBL10309751 0.89 ALDH1A1 (0.45) RAB9AADORA3TSHRPOLBALDH1A1
SCHEMBL7210562 0.89 CTSB (0.46) RAB9AADORA3TSHRALDH1A1MAPT
SCHEMBL2060547 0.87 DRD2 (0.46) ADORA3POLBHPGDTP53LMNA
SCHEMBL2060370 0.87 ADORA3 (0.43) RAB9AADORA3TSHRPOLBALDH1A1
SCHEMBL7209443 0.87 TSHR (0.45) TSHRPOLBALDH1A1MAPTHPGD
SCHEMBL7209553 0.85 TSHR (0.44) TSHRPOLBALDH1A1MAPTHPGD
SCHEMBL2060411 0.85 TP53 (0.53) RAB9ATSHRPOLBALDH1A1MAPT
SCHEMBL2060463 0.85 DRD2 (0.48) RAB9AADORA3TSHRALDH1A1MAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 RAB9A 2000/4885ADORA3 13/4885TSHR 3680/4885

“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.