SCHEMBL20205069

SCHEMBL20205069

O=C(Nc1cncnc1N1CCOCC1)c1ccnc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL29939324 1.00 KIF18A (0.48) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL20205194 0.82 KIF18A (0.43) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL29939380 0.82 GSK3A (0.47) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL20205125 0.82 GSK3A (0.47) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL20205068 0.82 GSK3A (0.44) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL29938952 0.82 GSK3A (0.44) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL20204939 0.81 GSK3A (0.44) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL29939331 0.81 GSK3A (0.44) KIF18AMAPK1TSHRALOX15L3MBTL1
SCHEMBL20204972 0.76 TSHR (0.51) MAPK1TSHRALOX15L3MBTL1CYP1A2
SCHEMBL29939856 0.76 TSHR (0.51) MAPK1TSHRALOX15L3MBTL1CYP1A2

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 KIF18A 2479/4885MAPK1 677/4885TSHR 3553/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KIF18A 2479/4885MAPK1 677/4885TSHR 3553/4885

“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.