SCHEMBL7208339

SCHEMBL7208339

Nc1nc(SCc2ccccc2)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CXCR2 P25025 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41

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
SCHEMBL7210357 0.94 DRD2 (0.46) ADORA3RAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL10309752 0.93 RAB9A (0.45) ADORA3RAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL2060547 0.91 DRD2 (0.46) ADORA3POLBLMNAADORA1TLR7
SCHEMBL2060370 0.91 ADORA3 (0.43) ADORA3RAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL7210562 0.90 CTSB (0.46) ADORA3RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7205483 0.90 TOP2A (0.45) ADORA3RAB9ASMN1; SMN2NPC1CXCR2
SCHEMBL10309751 0.89 ALDH1A1 (0.45) ADORA3RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7209553 0.89 TSHR (0.44) MAPK1TSHRPOLBNPSR1ADORA2A
SCHEMBL7210239 0.89 ABCB1 (0.50) ADORA3RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL3874062 0.88 MAPK1 (0.56) ADORA3MAPK1TSHRNPSR1ADORA2A

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 4 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-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 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 (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 ADORA3 13/4885RAB9A 2000/4885SMN1; SMN2 4605/4885

“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.