SCHEMBL20199773

SCHEMBL20199773

CCOC(=O)c1ccnn2cc(-c3ccccc3OC)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GSK3A P49840 2/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TGFBR1 P36897 3/20 0.42
ERN1 O75460 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL20199416 0.86 GSK3A (0.51) MAPTGSK3ATSHRKDM4EALDH1A1
SCHEMBL30051780 0.84 GSK3A (0.50) MAPTGSK3A
SCHEMBL20199459 0.83 MAPT (0.44) MAPTPOLBSMN1; SMN2KDM4ENPC1
SCHEMBL20199337 0.82 ALDH1A1 (0.58) MAPTGSK3ASMN1; SMN2TSHRNPSR1
SCHEMBL30864206 0.81 TGFBR1 (0.59) MAPTPOLBSMN1; SMN2USP2ALOX15
SCHEMBL30864205 0.81 TGFBR1 (0.59) MAPTPOLBSMN1; SMN2USP2ALOX15
SCHEMBL30398502 0.78 TSHR (0.47) MAPTSMN1; SMN2TSHRKDM4ENPC1
SCHEMBL16116491 0.78 GSK3A (0.47) MAPTGSK3APOLBKDM4EALDH1A1
SCHEMBL30050781 0.77 DCTPP1 (0.56) MAPTGSK3APOLBSMN1; SMN2TSHR
SCHEMBL20199422 0.77 DCTPP1 (0.56) MAPTGSK3APOLBSMN1; SMN2TSHR

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 MAPT 81/4885GSK3A 2/4885POLB 1008/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885GSK3A 2/4885POLB 1008/4885

“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.