SCHEMBL998090

SCHEMBL998090

CCS[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
ADORA3 P0DMS8 5/20 0.48
ADORA2A P29274 3/20 0.48
SLC28A1 O00337 2/20 0.48
ADORA2B P29275 2/20 0.48
ADORA1 P30542 2/20 0.48
DPP4 P27487 1/20 0.48
MEN1 O00255 1/20 0.48
MAP3K7 O43318 1/20 0.48
SLC28A2 O43868 1/20 0.48
GAPDH P04406 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT6 P42226 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DOT1L Q8TEK3 1/20 0.48
SLC29A1 Q99808 1/20 0.48

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
SCHEMBL4884759 0.90 EHMT1 (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL160357 0.89 ADORA3 (0.53) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL9495963 0.89 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6935380 0.86 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL28160452 0.86 ADORA3 (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5742060 0.85 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3488876 0.84 ADORA3 (0.47) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3317153 0.83 ADORA2A (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL30716126 0.81 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3698843 0.81 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP claimed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO claimed
EP-0721347-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS Beiersdorf Aktiengesellschaft (DE) 1996-07-17 EP claimed
WO-1995005852-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS BEIERSDORF AG (DE) 1995-03-02 WO claimed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
CN-109432073-A Purposes of the MGBG in the drug that preparation treats or prevents progressive MS and its progress 帕萨罗杰卡有限公司 2019-03-08 CN disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
US-5952373-A APPLYING TO THE SKIN AN EFFECTIVE AMOUNT OF ONE OR MORE FLAVONOIDS BEIERSDORF AG (DE) 1999-09-14 US disclosed
EP-0797427-A1 AGENTS ACTING AGAINST HYPERREACTIVE AND HYPOACTIVE, DEFICIENT SKIN CONDITIONS AND MANIFEST DERMATITIDES Beiersdorf Aktiengesellschaft (DE) 1997-10-01 EP disclosed
EP-0721347-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS Beiersdorf Aktiengesellschaft (DE) 1996-07-17 EP disclosed
WO-1996018381-A1 AGENTS ACTING AGAINST HYPERREACTIVE AND HYPOACTIVE, DEFICIENT SKIN CONDITIONS AND MANIFEST DERMATITIDES BEIERSDORF AG (DE) 1996-06-20 WO disclosed
WO-1995005852-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS BEIERSDORF AG (DE) 1995-03-02 WO disclosed
EP-0233031-B1 METHYLTHIORIBOSE ANALOGUES, THEIR PREPARATION AND USE AS MEDICINAL AGENTS AND BIOCIDES STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1993-04-07 EP disclosed
US-4820692-A PARASITICIDES, FUNGICIDES STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND OREGON STATE UNIVERSITY (US) 1989-04-11 US disclosed
EP-0233031-A2 Methylthioribose analogues, their preparation and use as medicinal agents and biocides STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1987-08-19 EP 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 (4 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-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS PI4KA 3910/4885PI4K2B 3416/4885PI4K2A 3260/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB PI4KA 4683/4885PI4K2B 3830/4885PI4K2A 4493/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG PI4KA 4759/4885PI4K2B 4335/4885PI4K2A 4709/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG PI4KA 4759/4885PI4K2B 4335/4885PI4K2A 4709/4885

“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.