SCHEMBL20190223

SCHEMBL20190223

CC1CN(c2cc(F)ncc2N)CCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.40
FFAR2 O15552 4/20 0.39
GAK O14976 3/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAP3K12 Q12852 1/20 0.38
ATR Q13535 2/20 0.36
ATRIP Q8WXE1 2/20 0.36
MAPT P10636 2/20 0.36
GSK3B P49841 2/20 0.36

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
SCHEMBL30051850 1.00 LRRK2 (0.40) LRRK2FFAR2GAKPDE3BPDE3A
SCHEMBL29742367 0.81
SCHEMBL20189905 0.81
SCHEMBL30051424 0.79 MAPT (0.44) LRRK2FFAR2PDE3BPDE3AMAPT
SCHEMBL20189764 0.79 MAPT (0.44) LRRK2FFAR2PDE3BPDE3AMAPT
SCHEMBL16702620 0.78 LGMN (0.50) MAP3K12MAPT
SCHEMBL20199859 0.77 KDM4E (0.58) LRRK2MAPT
SCHEMBL23375904 0.77 PIK3CA (0.46) LRRK2FFAR2GAKMAP3K12ATR
SCHEMBL31570672 0.76 LRRK2 (0.43) LRRK2FFAR2
SCHEMBL30051838 0.75 GSK3A (0.47) LRRK2FFAR2GAKATRATRIP

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 10 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
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 LRRK2 94/4885FFAR2 3543/4885GAK 884/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP LRRK2 94/4885FFAR2 3543/4885GAK 884/4885

“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.