SCHEMBL20199416

SCHEMBL20199416

COc1ccccc1-c1cn2nccc(C(=O)O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.51
MAPT P10636 4/20 0.51
DHODH Q02127 1/20 0.46
GPR35 Q9HC97 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GSK3B P49841 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EIF4E P06730 1/20 0.42
ADORA2A P29274 1/20 0.42
IKBKB O14920 1/20 0.41
HPGDS O60760 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30051780 0.90 GSK3A (0.50) GSK3AMAPTGSK3BADORA2AIKBKB
SCHEMBL20199773 0.86 MAPT (0.47) GSK3AMAPTKDM4EALDH1A1HPGD
SCHEMBL16116492 0.83 GSK3A (0.51) GSK3AMAPTDHODHGSK3B
SCHEMBL20199329 0.78 GSK3A (0.63) GSK3AMAPTDHODHALDH1A1GSK3B
SCHEMBL22717741 0.77 GPR35 (0.46) DHODHGPR35KDM4EALDH1A1HPGD
SCHEMBL22717680 0.74 GPR35 (0.46) DHODHGPR35KDM4EALDH1A1HPGD
SCHEMBL31278096 0.73 GSK3A (0.45) GSK3AMAPTDHODHKDM4EALDH1A1
SCHEMBL14881454 0.72 F2RL3 (0.50) GSK3AMAPTKDM4EALDH1A1HPGD
SCHEMBL20199459 0.71 MAPT (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1919686 0.70 DHODH (0.50) DHODHGPR35KDM4EALDH1A1HPGD

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 8 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
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 81/4885DHODH 1591/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885MAPT 81/4885DHODH 1591/4885

“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.