SCHEMBL20205183

SCHEMBL20205183

O=C(Nc1cnc(F)cc1N1CCOCC1)c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.53
GSK3B P49841 4/20 0.53
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
SMG1 Q96Q15 1/20 0.51
CAMK2D Q13557 1/20 0.51
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BTK Q06187 2/20 0.46
DGAT1 O75907 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL20204994 0.91 GSK3A (0.54) GSK3AGSK3BCDK2SMG1ALOX15
SCHEMBL29939489 0.88 GSK3A (0.49) GSK3AGSK3BCDK2ALOX15TSHR
SCHEMBL20205219 0.88 GSK3A (0.49) GSK3AGSK3BCDK2ALOX15TSHR
SCHEMBL20190085 0.87 GSK3A (0.49) GSK3AGSK3BSMG1BTKIRAK4
SCHEMBL29939082 0.87 GSK3A (0.49) GSK3AGSK3BSMG1BTKIRAK4
SCHEMBL29939117 0.87 MAPK1 (0.52) GSK3AGSK3BALOX15TSHRMAPK1
SCHEMBL20205173 0.87 MAPK1 (0.52) GSK3AGSK3BALOX15TSHRMAPK1
SCHEMBL20189914 0.84 JAK2 (0.55) GSK3AGSK3BCDK2CAMK2DALOX15
SCHEMBL20204972 0.84 TSHR (0.51) GSK3AGSK3BALOX15TSHRMAPK1
SCHEMBL29939856 0.84 TSHR (0.51) GSK3AGSK3BALOX15TSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
WO-2018098412-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-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885CDK1 119/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885CDK1 119/4885

“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.