SCHEMBL20199539

SCHEMBL20199539

CCOC(=O)c1ccnn2cc(C3CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GSK3A P49840 3/20 0.46
ELANE P08246 2/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR2 O43614 3/20 0.39
CSNK1D P48730 1/20 0.39
TGFBR1 P36897 1/20 0.39
CYP1A2 P05177 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
GRK6 P43250 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL30398502 0.82 TSHR (0.47) KDM4EHSD17B10ELANEMAPTTSHR
SCHEMBL20199337 0.79 ALDH1A1 (0.58) KDM4EHSD17B10GSK3AMAPTTSHR
SCHEMBL16718855 0.78 KDM4E (0.58) KDM4EHSD17B10ELANEMAPTTSHR
SCHEMBL20199422 0.76 DCTPP1 (0.56) KDM4EHSD17B10GSK3AMAPTTSHR
SCHEMBL30050781 0.76 DCTPP1 (0.56) KDM4EHSD17B10GSK3AMAPTTSHR
SCHEMBL20199807 0.76 JAK2 (0.44) KDM4EHSD17B10GSK3AELANEMAPT
SCHEMBL20199773 0.74 MAPT (0.47) KDM4EHSD17B10GSK3AMAPTTSHR
SCHEMBL21997232 0.74 KDM4E (0.53) KDM4EHSD17B10ALDH1A1NPC1HPGD
SCHEMBL21331461 0.74 KDM4E (0.50) KDM4EHSD17B10GSK3AMAPTTSHR
SCHEMBL25114225 0.72 KDM4E (0.54) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2

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 KDM4E 2252/4885HSD17B10 215/4885GSK3A 2/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2252/4885HSD17B10 215/4885GSK3A 2/4885

“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.