SCHEMBL1798271

SCHEMBL1798271

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.73
PI4K2B Q8TCG2 1/20 0.73
PI4K2A Q9BTU6 1/20 0.73
PI4KB Q9UBF8 1/20 0.73
RXFP1 Q9HBX9 1/20 0.72
P2RX3 P56373 3/20 0.68
P2RX1 P51575 2/20 0.68
P2RX4 Q99571 2/20 0.68
AMD1 P17707 2/20 0.58
GAA P10253 1/20 0.52
MARS1 P56192 1/20 0.51
OR51E2 Q9H255 1/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
PRKACA P17612 1/20 0.50
DNPH1 O43598 1/20 0.50
PRKAB2 O43741 1/20 0.50
TRPM2 O94759 1/20 0.50
LDHA P00338 1/20 0.50

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
SCHEMBL3407241 1.00 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30544933 1.00 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL11889816 0.96 PI4KA (0.80) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19859400 0.92 PI4KA (0.76) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5672241 0.92 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16579246 0.89 RXFP1 (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12800890 0.89 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1796855 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1798145 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5317973 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1

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 26 patents — showing the first 20. 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 US disclosed
EP-2204154-B1 Association of monosaccharides and adenosine and its cosmetic use ORÉAL L (FR) 2016-10-12 EP 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
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
EP-1847547-A1 Anti-wrinkle cosmetic composition L'Oréal (FR) 2007-10-24 EP disclosed
EP-1847547-A1 Anti-wrinkle cosmetic composition L'Oréal (FR) 2007-10-24 EP disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 US disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 US disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 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 (10 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PI4KA 1546/4885PI4K2B 704/4885PI4K2A 804/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 PI4KA 3626/4885PI4K2B 3652/4885PI4K2A 3111/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PI4KA 1546/4885PI4K2B 704/4885PI4K2A 804/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 PI4KA 1477/4885PI4K2B 1481/4885PI4K2A 1006/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885

“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.