SCHEMBL20199337

SCHEMBL20199337

CCOC(=O)c1ccnn2cc(-c3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 4/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HSD17B10 Q99714 3/20 0.58
GSK3A P49840 9/20 0.55
MAPT P10636 7/20 0.53
GSK3B P49841 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NFKB1 P19838 2/20 0.47

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
SCHEMBL20199422 0.89 DCTPP1 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL30050781 0.89 DCTPP1 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL21331461 0.86 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL30398502 0.83 TSHR (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL20199773 0.82 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL20199329 0.82 GSK3A (0.63) ALDH1A1GSK3AMAPTGSK3B
SCHEMBL20199403 0.81 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2315706 0.80 DHODH (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL20199807 0.79 JAK2 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL20199539 0.79 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

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 ALDH1A1 4339/4885KDM4E 2252/4885SMN1; SMN2 523/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 4339/4885KDM4E 2252/4885SMN1; SMN2 523/4885

“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.