SCHEMBL20190355

SCHEMBL20190355

O=C(O)c1ccnn2c(NCC3CC3)cnc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.67
MAPT P10636 1/20 0.55
KDM4C Q9H3R0 4/20 0.52
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
PIM1 P11309 1/20 0.40
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
KDM5A P29375 1/20 0.38
VCP P55072 1/20 0.37
TTK P33981 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL21331463 0.84 GSK3A (0.63) GSK3AMAPTADORA3ADORA2AADORA1
SCHEMBL21345832 0.82 GSK3A (0.46) GSK3AMAPTKDM4CASPHKDM8
SCHEMBL30051815 0.81 GSK3A (1.00) GSK3AMAPTKDM4E
SCHEMBL20199642 0.81 GSK3A (1.00) GSK3AMAPTKDM4E
SCHEMBL30050764 0.79 GSK3A (1.00) GSK3AMAPTKDM4CTTK
SCHEMBL20199821 0.79 GSK3A (1.00) GSK3AMAPTKDM4CTTK
SCHEMBL20199605 0.79 GSK3A (0.46) GSK3AMAPTADORA2A
SCHEMBL20199543 0.78 GSK3A (1.00) GSK3AMAPTKDM4C
SCHEMBL30050507 0.78 GSK3A (1.00) GSK3AMAPTKDM4C
SCHEMBL20199658 0.75 GSK3A (1.00) GSK3AMAPTKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098411-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-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3A 2/4885MAPT 81/4885KDM4C 3087/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885MAPT 81/4885KDM4C 3087/4885

“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.