SCHEMBL20205068

SCHEMBL20205068

O=C(Nc1cncnc1N1CCOCC1)c1ccnc(NCC2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.44
IRAK4 Q9NWZ3 6/20 0.42
KIF18A Q8NI77 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MERTK Q12866 2/20 0.39
GSK3B P49841 3/20 0.39
NAPEPLD Q6IQ20 2/20 0.39
MAPT P10636 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL29938952 1.00 GSK3A (0.44) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL20205125 0.97 GSK3A (0.47) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL29939380 0.97 GSK3A (0.47) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL20204939 0.96 GSK3A (0.44) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL29939331 0.96 GSK3A (0.44) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL20205194 0.85 KIF18A (0.43) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL29939324 0.82 KIF18A (0.48) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL20205069 0.82 KIF18A (0.48) GSK3AIRAK4KIF18AMAPK1CYP1A2
SCHEMBL20189806 0.80 GSK3A (0.63) GSK3AIRAK4CYP1A2CYP3A4CYP2C9
SCHEMBL28911737 0.79 GSK3A (0.46) GSK3AIRAK4GSK3B

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
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
CN-110545817-A GSK-3 inhibitors SQUIBB BRISTOL MYERS COMPANY 2019-12-06 CN disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO 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 (2 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-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3A 2/4885IRAK4 2983/4885KIF18A 2479/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885IRAK4 2983/4885KIF18A 2479/4885

“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.