SCHEMBL22704493

SCHEMBL22704493

CC(C)(C)n1ncc2c(N)nnnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP17A1 P05093 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 6/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL25758856 0.76 PI4KA (0.56) CYP1A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL24659480 0.75 CYP1A2 (0.39) CYP1A2CYP17A1PI4KAPI4K2BPI4K2A
SCHEMBL156688 0.75 PI4KA (0.61) CYP1A2CYP17A1PI4KAPI4K2BPI4K2A
SCHEMBL29773082 0.75 PI4KA (0.61) CYP1A2CYP17A1PI4KAPI4K2BPI4K2A
SCHEMBL26298375 0.67 CYP1A2 (0.55) CYP1A2CYP17A1TSHRCYP3A4CYP2C9
SCHEMBL7317167 0.66 HPGD (0.43) CYP1A2CYP17A1HPGD
SCHEMBL21126169 0.64 PNP (0.45) CYP1A2ALDH1A1XDHKDM4E
SCHEMBL22971112 0.62 PI4KA (0.57) CYP1A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL21636970 0.62 ALDH1A1 (0.63) CYP1A2CYP17A1TSHRCYP3A4CYP2C9
SCHEMBL22521559 0.62 CYP1A2 (0.47) CYP1A2CYP17A1PI4KAPI4K2BPI4K2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230383296-A1 MODIFIED GAPMER OLIGOMERS AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators ALIGOS THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators ALIGOS THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20220056451-A1 HBV BINDING OLIGONUCLEOTIDES AND METHODS OF USE ALIGOS THERAPEUTICS, INC. 2022-02-24 US disclosed
US-20210317457-A1 ANTISENSE OLIGONUCLEOTIDE (ASO) MOLECULES AND USES THEREOF FOR CORONAVIRUS DISEASES ALIGOS THERAPEUTICS, INC. (US) 2021-10-14 US disclosed
US-20200385735-A1 MODIFIED GAPMER OLIGONUCLEOTIDES AND METHODS OF USE ALIGOS THERAPEUTICS, INC. (US) 2020-12-10 US disclosed
US-20200369711-A1 MODIFIED CYCLIC DINUCLEOSIDE COMPOUNDS AS STING MODULATORS ALIGOS THERAPEUTICS, INC. 2020-11-26 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 (6 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-20220056451-A1 HBV BINDING OLIGONUCLEOTIDES AND METHODS OF USE HAVCR2, POLRMT, DCLRE1B CYP1A2 4621/4885CYP17A1 3865/4885PI4KA 3367/4885
US-20210317457-A1 ANTISENSE OLIGONUCLEOTIDE (ASO) MOLECULES AND USES THEREOF FOR CORONAVIRUS DISEASES ACE2, SARS1, ACE CYP1A2 4432/4885CYP17A1 2471/4885PI4KA 3675/4885
US-20200369711-A1 MODIFIED CYCLIC DINUCLEOSIDE COMPOUNDS AS STING MODULATORS STING1, CGAS, IRF3 CYP1A2 4751/4885CYP17A1 3853/4885PI4KA 2127/4885
US-20200385735-A1 MODIFIED GAPMER OLIGONUCLEOTIDES AND METHODS OF USE HAVCR2, ADAR, RNMT CYP1A2 4775/4885CYP17A1 4712/4885PI4KA 1783/4885
US-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators STING1, CGAS, IRF3 CYP1A2 4751/4885CYP17A1 3853/4885PI4KA 2127/4885
US-20230383296-A1 MODIFIED GAPMER OLIGOMERS AND METHODS OF USE THEREOF GJA1, GAP43, GJB2 CYP1A2 4875/4885CYP17A1 4647/4885PI4KA 2139/4885

“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.