SCHEMBL20199701

SCHEMBL20199701

CCOC(=O)c1ccnn2c(NC(=O)C3CC3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
RAB9A P51151 3/20 0.46
GSK3A P49840 3/20 0.46
ELANE P08246 1/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 1/20 0.45
TP53 P04637 4/20 0.42
PDE4B Q07343 3/20 0.42
ALOX15 P16050 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
SCHEMBL20199626 0.83 KDM4E (0.51) POLBGAAMAPTRAB9AGSK3A
SCHEMBL20199605 0.83 GSK3A (0.46) MAPTGSK3AALDH1A1CYP3A4CYP2D6
SCHEMBL21331463 0.83 GSK3A (0.63) MAPTRAB9AGSK3AELANENPC1
SCHEMBL21345831 0.80 NPC1 (0.48) POLBGAAMAPTRAB9AGSK3A
SCHEMBL20199397 0.75 KDM4E (0.60) POLBMAPTRAB9ANPC1ALDH1A1
SCHEMBL20199770 0.73 GSK3A (0.77) MAPTGSK3AGSK3B
SCHEMBL5816384 0.68 BRAF (0.67) RAB9AGSK3ANPC1ALDH1A1CYP1A2
SCHEMBL21331457 0.66 ALDH1A1 (0.49) MAPTRAB9AELANENPC1ALDH1A1
SCHEMBL25375133 0.65 CSNK1D (0.49) GAAMAPTRAB9AELANENPC1
SCHEMBL30398502 0.65 TSHR (0.47) GAAMAPTRAB9AELANENPC1

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 POLB 1008/4885GAA 963/4885MAPT 81/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP POLB 1008/4885GAA 963/4885MAPT 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.