SCHEMBL1801703

SCHEMBL1801703

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.56
▸ PDE4B Q07343 7/20 0.56
▸ PDE4C Q08493 7/20 0.56
▸ PDE4D Q08499 7/20 0.56
▸ STING1 Q86WV6 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAPGEF3 O95398 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RAPGEF4 Q8WZA2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ TYMP P19971 1/20 0.40
▸ AHCY P23526 1/20 0.39

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
SCHEMBL29792990 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL16871701 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL17889822 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL17612283 0.90 STING1 (0.45) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL22983991 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL9964279 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL6895355 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL14946346 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL23813544 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL16271105 0.89 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1

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
EP-2891717-B1 OLIGONUCLEOTIDE KYOWA KIRIN CO LTD (JP) 2020-04-29 — — EP disclosed
US-10378011-B2 Oligonucleotide KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-08-13 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20150376611-A1 OLIGONUCLEOTIDE KYOWA KIRIN CO., LTD. (JP) 2015-12-31 — — US disclosed
EP-2891717-A1 OLIGONUCLEOTIDE Kyowa Hakko Kirin Co., Ltd. (JP) 2015-07-08 — — EP 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PDE4A 1242/4885PDE4B 1411/4885PDE4C 1752/4885
US-10378011-B2 Oligonucleotide HNRNPA3, AGO2, RBM3 PDE4A 2726/4885PDE4B 3567/4885PDE4C 3391/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDE4A 1856/4885PDE4B 2194/4885PDE4C 2367/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PDE4A 785/4885PDE4B 640/4885PDE4C 711/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PDE4A 1856/4885PDE4B 2194/4885PDE4C 2367/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PDE4A 785/4885PDE4B 640/4885PDE4C 711/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PDE4A 1856/4885PDE4B 2194/4885PDE4C 2367/4885

“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.

Send feedback