SCHEMBL18896381

SCHEMBL18896381

COC(=O)c1c(OC)c(=O)c(C(N)=O)cn1CC(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
BRD4 O60885 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 3/20 0.32
NR4A2 P43354 1/20 0.32
KDM4E B2RXH2 4/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL19245942 0.91 BRD4 (0.39) PDE3BPDE3ABRD4GAAALDH1A1
SCHEMBL17967309 0.88 PDE3B (0.33) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL15913967 0.88 RAB9A (0.39) BRD4GAAALDH1A1NR4A2KDM4E
SCHEMBL15064604 0.78 BRD4 (0.38) BRD4GAAALDH1A1NR4A2KDM4E
SCHEMBL16447915 0.77 BRD4 (0.37) BRD4GAAALDH1A1NR4A2KDM4E
SCHEMBL18567026 0.77 HTT (0.35) PDE3BPDE3ABRD4GAAALDH1A1
SCHEMBL19755582 0.77 BRD4 (0.37) BRD4GAAALDH1A1NR4A2KDM4E
SCHEMBL19041068 0.76 HTT (0.36) PDE3BPDE3ABRD4GAAALDH1A1
SCHEMBL2415069 0.76 KDM4E (0.38) BRD4GAAALDH1A1NR4A2KDM4E
SCHEMBL19158138 0.76 PLA2G4A (0.38) BRD4GAAALDH1A1NR4A2KDM4E

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-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2020-06-23 US disclosed
US-20190092787-A1 SUBSTITUTED 2,3,4,5,7,9,13,13A-OCTAHYDRO-1,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[1,3]DIAZEPINES AND METHODS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-03-28 US disclosed
US-20180215769-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2018-08-02 US disclosed
US-10035809-B2 Substituted 2,3,4,5,7,9,13,13a-octahydro-1,5-methanopyrido[1′,2′:4,5]pyrazino[1,2-a][1,3]diazepines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2018-07-31 US disclosed
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2017-09-14 US disclosed
US-9732092-B2 Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]OXAZEPINES and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-08-15 US disclosed
US-9663528-B2 Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-05-30 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-20190092787-A1 SUBSTITUTED 2,3,4,5,7,9,13,13A-OCTAHYDRO-1,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[1,3]DIAZEPINES AND METHODS FOR TREATING VIRAL INFECTIONS ZC3HAV1, PYM1, CCR5 PDE3B 882/4885PDE3A 671/4885PDE1A 4269/4885
US-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections PYM1, ZYX, XDH PDE3B 1036/4885PDE3A 867/4885PDE1A 4599/4885
US-20180215769-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, ZYX, ZC3HAV1L PDE3B 1764/4885PDE3A 1521/4885PDE1A 3061/4885
US-10035809-B2 Substituted 2,3,4,5,7,9,13,13a-octahydro-1,5-methanopyrido[1′,2′:4,5]pyrazino[1,2-a][1,3]diazepines and methods for treating viral infections PYM1, ZC3HAV1, CD4 PDE3B 1301/4885PDE3A 1031/4885PDE1A 4286/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PDE3B 1700/4885PDE3A 1482/4885PDE1A 3124/4885
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PDE3B 1700/4885PDE3A 1482/4885PDE1A 3124/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 PDE3B 1253/4885PDE3A 1147/4885PDE1A 3870/4885

“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.