SCHEMBL20199605

SCHEMBL20199605

O=C(O)c1ccnn2c(NC(=O)C3CC3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.46
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 1/20 0.39
CDKN1A P38936 1/20 0.39
MAPT P10636 1/20 0.39
ACVRL1 P37023 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
GSK3B P49841 1/20 0.38
ABL1 P00519 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL20199701 0.83 POLB (0.47) GSK3ACYP3A4CYP2D6MAPTALDH1A1
SCHEMBL20190355 0.79 GSK3A (0.67) GSK3AADORA2AMAPT
SCHEMBL20199770 0.75 GSK3A (0.77) GSK3AMAPTGSK3B
SCHEMBL30051403 0.75 GSK3A (0.77) GSK3AMAPTGSK3B
SCHEMBL21345832 0.75 GSK3A (0.46) GSK3AADORA2AMAPTALDH1A1
SCHEMBL30050851 0.71 GSK3A (0.74) GSK3AMAPTGSK3B
SCHEMBL20190398 0.70 KDM4E (0.43) KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL24548191 0.69 CSNK1D (0.53) ADORA2AADORA2BGSK3B
SCHEMBL16703135 0.68 KDM4C (0.58) MAPTGSK3B
SCHEMBL18640737 0.65 DHODH (0.54) CYP3A4KMT2AMAPTACVRL1ALDH1A1

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 8 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
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 2/4885ADORA2A 4445/4885ADORA2B 4456/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885ADORA2A 4445/4885ADORA2B 4456/4885

“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.