SCHEMBL1795250

SCHEMBL1795250

CC(C)[Si](OC[C@H]1[CH][CH][C@H](n2cnc3c(N)ncnc32)O1)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.43
▸ DOT1L Q8TEK3 2/20 0.43
▸ ADORA2A P29274 3/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SLC28A1 O00337 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ SLC28A2 O43868 1/20 0.42
▸ GAPDH P04406 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42

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
SCHEMBL5274412 1.00 AHCY (0.43) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL1795041 0.87 HIF1A (0.33) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL1178687 0.79 ADORA3 (0.57) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL11760829 0.77 ADORA1 (0.67) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL1800135 0.77 ADORA1 (0.67) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL5273183 0.77 ADORA1 (0.67) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL11889844 0.77 ADORA1 (0.67) AHCYDOT1LADORA2AADORA3ADORA2B
SCHEMBL29145027 0.75 POLB (0.61) AHCYADORA1SMN1; SMN2ADADNPH1
SCHEMBL9744126 0.74 POLB (0.47) AHCYDOT1LADORA2AADORA1SMN1; SMN2
SCHEMBL1801648 0.74 UBA6 (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 — — US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 — — EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (7 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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AHCY 703/4885DOT1L 2827/4885ADORA2A 1750/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 AHCY 1485/4885DOT1L 3312/4885ADORA2A 3026/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 AHCY 4595/4885DOT1L 3408/4885ADORA2A 185/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AHCY 703/4885DOT1L 2827/4885ADORA2A 1750/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AHCY 1485/4885DOT1L 3312/4885ADORA2A 3026/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 AHCY 4595/4885DOT1L 3408/4885ADORA2A 185/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AHCY 1485/4885DOT1L 3312/4885ADORA2A 3026/4885

“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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