SCHEMBL20199477

SCHEMBL20199477

O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 1.00
MAPT P10636 7/20 0.69
GSK3B P49841 6/20 0.62
IRAK4 Q9NWZ3 5/20 0.50

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
SCHEMBL20199429 0.88 GSK3A (0.78) GSK3AMAPTGSK3BIRAK4
SCHEMBL30052060 0.88 GSK3A (0.78) GSK3AMAPTGSK3BIRAK4
SCHEMBL20199750 0.82 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL20199584 0.82 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL20199528 0.79 GSK3A (1.00) GSK3AMAPTGSK3BIRAK4
SCHEMBL30051818 0.79 GSK3A (1.00) GSK3AMAPTGSK3BIRAK4
SCHEMBL20199490 0.78 GSK3A (0.75) GSK3AMAPTGSK3B
SCHEMBL16703970 0.78 GSK3A (0.67) GSK3AMAPTGSK3B
SCHEMBL20199487 0.77 GSK3A (1.00) GSK3AMAPTGSK3B
SCHEMBL20199414 0.77 GSK3A (0.75) 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.