SCHEMBL1795283

SCHEMBL1795283

CC1(C)O[C@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1cnc2c(Cl)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
P2RX3 P56373 3/20 0.50
P2RX1 P51575 2/20 0.50
P2RX4 Q99571 2/20 0.50
AMD1 P17707 2/20 0.46
TYMP P19971 1/20 0.45
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SLC29A1 Q99808 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1795966 1.00 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795275 1.00 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795964 1.00 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14429084 0.92 TYMP (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24146635 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21377709 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2291014 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30546911 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25756772 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25756742 0.89 PI4KA (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB

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 12 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
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
US-20050124574-A1 Purine derivatives PFIZER INC. 2005-06-09 US disclosed
US-6900309-B1 Purine derivatives PFIZER INC (US) 2005-05-31 US disclosed
EP-1185542-A2 PURINE DERIVATIVES Pfizer Limited (GB) 2002-03-13 EP disclosed
WO-2000077018-A2 PURINE DERIVATIVES PFIZER LIMITED (GB) 2000-12-21 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 (5 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 RXFP1 3880/4885PI4KA 1455/4885PI4K2B 2027/4885
US-20050124574-A1 Purine derivatives ADORA2A, ADORA3, ADORA1 RXFP1 334/4885PI4KA 2517/4885PI4K2B 3186/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885

“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.