SCHEMBL1797403

SCHEMBL1797403

CC(=O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ENPP1 P22413 2/20 0.47
P2RY1 P47900 2/20 0.47
STING1 Q86WV6 1/20 0.44
ADA P00813 1/20 0.43
ADORA1 P30542 3/20 0.43
DNPH1 O43598 1/20 0.43
PRKAB2 O43741 1/20 0.43
TRPM2 O94759 1/20 0.43
LDHA P00338 1/20 0.43
ADRB2 P07550 1/20 0.43
FBP1 P09467 1/20 0.43
SRC P12931 1/20 0.43
P2RY2 P41231 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL1797405 1.00 POLB (0.48) POLBENPP1P2RY1STING1ADA
SCHEMBL1797401 1.00 POLB (0.48) POLBENPP1P2RY1STING1ADA
SCHEMBL13770242 0.90 POLB (0.46) POLBENPP1P2RY1STING1ADA
SCHEMBL1795867 0.89 HIF1A (0.41) POLBENPP1P2RY1
SCHEMBL1795871 0.89 HIF1A (0.41) POLBENPP1P2RY1
SCHEMBL1795865 0.89 HIF1A (0.41) POLBENPP1P2RY1
SCHEMBL5362841 0.88 POLB (0.51) POLBENPP1P2RY1STING1ADA
SCHEMBL21317437 0.88 POLB (0.47) POLBENPP1P2RY1STING1ADA
SCHEMBL30197148 0.88 POLB (0.47) POLBENPP1P2RY1STING1ADA
SCHEMBL4580121 0.88 POLB (0.47) POLBENPP1P2RY1STING1ADA

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 10 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-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
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 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-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 WO 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 (6 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 POLB 70/4885ENPP1 9/4885P2RY1 426/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 POLB 70/4885ENPP1 9/4885P2RY1 426/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 POLB 370/4885ENPP1 18/4885P2RY1 2716/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 POLB 70/4885ENPP1 9/4885P2RY1 426/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 POLB 370/4885ENPP1 18/4885P2RY1 2716/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 POLB 370/4885ENPP1 18/4885P2RY1 2716/4885

“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.