SCHEMBL20190645

SCHEMBL20190645

O=C(O)c1ccnn2cc(C3=CCCCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.43
GSK3A P49840 7/20 0.41
MAPT P10636 3/20 0.41
GSK3B P49841 1/20 0.41
ELANE P08246 1/20 0.40
KDR P35968 1/20 0.39
TBK1 Q9UHD2 3/20 0.39
ATR Q13535 1/20 0.39
CLCN2 P51788 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IKBKE Q14164 1/20 0.38
DHODH Q02127 1/20 0.36
PTGER1 P34995 1/20 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
SCHEMBL20199807 0.84 JAK2 (0.44) GSK3AMAPTGSK3BELANE
SCHEMBL31398170 0.81 TGFBR1 (0.43) ACMSDKDRTBK1ATRCLCN2
SCHEMBL20199329 0.76 GSK3A (0.63) GSK3AMAPTGSK3BDHODH
SCHEMBL20199419 0.74 GSK3A (0.73) GSK3AMAPTGSK3B
SCHEMBL20199396 0.71 GSK3A (0.68) GSK3AMAPTGSK3BDHODH
SCHEMBL31278096 0.71 GSK3A (0.45) GSK3AMAPTGSK3BTDP1DHODH
SCHEMBL20190390 0.71 GSK3A (0.53) GSK3AMAPTGSK3BDHODH
SCHEMBL16116492 0.70 GSK3A (0.51) GSK3AMAPTGSK3BDHODH
SCHEMBL14151556 0.69 ACMSD (0.48) ACMSDELANETBK1ATRTDP1
SCHEMBL20199425 0.68 GSK3A (0.56) GSK3AMAPTGSK3BDHODH

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 ACMSD 4873/4885GSK3A 2/4885MAPT 81/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP ACMSD 4873/4885GSK3A 2/4885MAPT 81/4885

“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.