SCHEMBL20199329

SCHEMBL20199329

O=C(O)c1ccnn2cc(-c3ccccc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 17/20 0.63
MAPT P10636 8/20 0.63
GSK3B P49841 2/20 0.63
DHODH Q02127 2/20 0.56
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL17303152 0.89 GSK3A (0.59) GSK3AMAPTGSK3BDHODHPIM1
SCHEMBL20199396 0.88 GSK3A (0.68) GSK3AMAPTGSK3BDHODHPIM1
SCHEMBL20199425 0.84 GSK3A (0.56) GSK3AMAPTGSK3BDHODH
SCHEMBL20199337 0.82 ALDH1A1 (0.58) GSK3AMAPTGSK3BALDH1A1
SCHEMBL16116492 0.81 GSK3A (0.51) GSK3AMAPTGSK3BDHODH
SCHEMBL31278096 0.79 GSK3A (0.45) GSK3AMAPTGSK3BDHODHALDH1A1
SCHEMBL20199335 0.79 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL30050777 0.79 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199405 0.78 DHODH (0.50) GSK3AMAPTGSK3BDHODHALDH1A1
SCHEMBL14881632 0.78 KMO (0.52) GSK3AMAPTGSK3BDHODHALDH1A1

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 2/4885MAPT 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.