SCHEMBL20189504

SCHEMBL20189504

CC1CN(c2ccncc2[N+](=O)[O-])CCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
GSK3A P49840 8/20 0.46
GSK3B P49841 3/20 0.45
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
PRKCQ Q04759 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30051429 1.00 MAPT (0.47) MAPTHTTPOLBGSK3AGSK3B
SCHEMBL30050306 0.80 MAPT (0.69) MAPTHTTPOLBALDH1A1CYP1A2
SCHEMBL19417846 0.80 MAPT (0.69) MAPTHTTPOLBALDH1A1CYP1A2
SCHEMBL20189764 0.78 MAPT (0.44) MAPTHTTGSK3BALDH1A1RAB9A
SCHEMBL30051424 0.78 MAPT (0.44) MAPTHTTGSK3BALDH1A1RAB9A
SCHEMBL15932902 0.78 MAPT (0.43) MAPTHTTPOLBALDH1A1RAB9A
SCHEMBL20189313 0.78 GSK3A (0.47) MAPTGSK3AGSK3BPIM1CDK2
SCHEMBL30051838 0.78 GSK3A (0.47) MAPTGSK3AGSK3BPIM1CDK2
SCHEMBL13833304 0.77 MAPT (0.41) MAPTHTTPOLBALDH1A1MEN1
SCHEMBL9425659 0.75 MAPT (0.67) MAPTHTTPOLBALDH1A1CYP1A2

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 9 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
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP 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 MAPT 81/4885HTT 2452/4885POLB 1008/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885HTT 2452/4885POLB 1008/4885

“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.