SCHEMBL20199407

SCHEMBL20199407

O=C(Nc1cnccc1N1CCOCC1)c1cc(Cl)nn2cc(-c3ccccc3)nc12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 16/20 0.78
MAPT P10636 9/20 0.78
PIM1 P11309 1/20 0.61
CDK2 P24941 1/20 0.61
GSK3B P49841 1/20 0.61
CDK5 Q00535 1/20 0.61
PRKCQ Q04759 1/20 0.61
AAK1 Q2M2I8 1/20 0.61
GPR55 Q9Y2T6 1/20 0.53
ATR Q13535 2/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30049931 1.00 GSK3A (0.78) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199408 0.88 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30049920 0.88 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199390 0.83 GSK3A (0.90) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30050545 0.83 GSK3A (0.90) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30050892 0.80 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199410 0.80 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199339 0.79 GSK3A (0.83) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30050829 0.79 GSK3A (0.83) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199426 0.78 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B

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 81/4885PIM1 1740/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885MAPT 81/4885PIM1 1740/4885

“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.