SCHEMBL2116140

SCHEMBL2116140

CC(C)CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.65
ERBB2 P04626 1/20 0.65
AMD1 P17707 2/20 0.62
ADORA3 P0DMS8 3/20 0.62
DOT1L Q8TEK3 2/20 0.62
DPP4 P27487 1/20 0.62
MEN1 O00255 1/20 0.62
SLC28A1 O00337 1/20 0.62
MAP3K7 O43318 1/20 0.62
SLC28A2 O43868 1/20 0.62
GAPDH P04406 1/20 0.62
MAPK1 P28482 1/20 0.62
ADORA2A P29274 1/20 0.62
ADORA2B P29275 1/20 0.62
ADORA1 P30542 1/20 0.62
STAT6 P42226 1/20 0.62
PI4KA P42356 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62

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
SCHEMBL3489379 0.91 EHMT1 (0.73) AMD1ADORA3DOT1LDPP4MEN1
SCHEMBL7622931 0.91 EHMT1 (0.73) AMD1ADORA3DOT1LDPP4MEN1
SCHEMBL2115819 0.88 EHMT1 (0.71) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL2829517 0.86 EHMT1 (0.78) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL505376 0.85 EGFR (0.71) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL10665708 0.85 EHMT1 (0.70) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL1490898 0.85 EGFR (0.71) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL30893122 0.84 EGFR (0.84) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL5695357 0.84 EGFR (0.84) EGFRERBB2AMD1ADORA3DOT1L
SCHEMBL2829298 0.83 EGFR (0.62) EGFRERBB2AMD1ADORA3DOT1L

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP claimed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 US claimed
JP-5208993-A None JP disclosed
JP-8183737-A None JP disclosed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
JP-H08183737-A ALCOHOL ABSORPTION INHIBITOR ADVANCE CO LTD 1996-07-16 JP disclosed
JP-H05208993-A PHARMACEUTICAL COMPOSITION FOR TREATMENT OF ISCHEMIA BIORESEARCH SPA 1993-08-20 JP disclosed
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP disclosed
EP-0191561-B1 ANTICARIOGENIC OR ANTIPERIODONTITIC AGENT KABUSHIKI KAISYA ADVANCE (JP) 1992-07-15 EP disclosed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 US disclosed
EP-0191561-A2 Anticariogenic or antiperiodontitic agent KABUSHIKI KAISYA ADVANCE (JP) 1986-08-20 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP EGFR 3632/4885ERBB2 4303/4885AMD1 73/4885

“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.