SCHEMBL20199642

SCHEMBL20199642

O=C(Nc1cccnc1)c1ccnn2c(NCC3CC3)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 1.00
MAPT P10636 2/20 0.61
GSK3B P49841 1/20 0.47
HTT P42858 3/20 0.46
MAPK1 P28482 1/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
NAMPT P43490 3/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
TSHR P16473 1/20 0.42
CYP11B2 P19099 1/20 0.41
CRHR1 P34998 1/20 0.41

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
SCHEMBL30051815 1.00 GSK3A (1.00) GSK3AMAPTGSK3BHTTMAPK1
SCHEMBL20199821 0.82 GSK3A (1.00) GSK3AMAPTGSK3BCRHR1
SCHEMBL30050764 0.82 GSK3A (1.00) GSK3AMAPTGSK3BCRHR1
SCHEMBL20199543 0.81 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL30050507 0.81 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL30050805 0.81 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL20199658 0.81 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL20190355 0.81 GSK3A (0.67) GSK3AMAPTKDM4E
SCHEMBL20199590 0.78 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL30050930 0.78 GSK3A (1.00) GSK3AMAPTGSK3B

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
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
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

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 81/4885GSK3B 1/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885MAPT 81/4885GSK3B 1/4885

“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.