SCHEMBL5066797

SCHEMBL5066797

CCc1nc2c(N)ncnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 0.43
PI4K2B Q8TCG2 6/20 0.43
PI4K2A Q9BTU6 6/20 0.43
PI4KB Q9UBF8 6/20 0.43
ADORA1 P30542 10/20 0.42
ADORA2A P29274 9/20 0.42
ADORA3 P0DMS8 5/20 0.42
ADORA2B P29275 5/20 0.40
NUDT1 P36639 2/20 0.38
RET P07949 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL19686245 0.86 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL9668597 0.83 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL5481178 0.82 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL27741346 0.80 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16487356 0.80 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KB
SCHEMBL5848451 0.80 ADORA3 (0.41) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL6683145 0.80 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL6029471 0.77 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL669406 0.77 ADORA2A (0.40) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL18757974 0.76 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA1

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
CN-117343119-A Preparation method of alkylated nucleoside, nucleotide, oligonucleotide and analogues thereof 上海交通大学 2024-01-05 CN disclosed
WO-2017153527-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2017-09-14 WO disclosed
CN-104478883-B A kind of C8-Heterocyclylalkyl purine nucleoside analogs and synthetic method thereof HENAN SCIENCE AND TECHNOLOGY COLLEGE (CN) 2016-04-06 CN disclosed
CN-104478883-A Novel C8-heterocyclic alkylated purine nucleoside analogue and synthetic method thereof HENAN INST SCIENCE & TECH 2015-04-01 CN disclosed
US-8268849-B2 Multifunctional Antioxidants and methods of use thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-09-18 US disclosed
US-8268849-B2 Multifunctional Antioxidants and methods of use thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-09-18 US disclosed
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (1 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-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof AS3MT, OAT, NCL PI4KA 2959/4885PI4K2B 2361/4885PI4K2A 2525/4885

“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.