SCHEMBL20199807

SCHEMBL20199807

CCOC(=O)c1ccnn2cc(C3=CCCCC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
HPGD P15428 8/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TGFBR1 P36897 3/20 0.39
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ELANE P08246 1/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL20190645 0.84 ACMSD (0.43) ELANEGSK3AMAPTGSK3B
SCHEMBL31398124 0.82 TGFBR1 (0.50) JAK2JAK3HPGDALDH1A1KDM4E
SCHEMBL20199337 0.79 ALDH1A1 (0.58) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL30398502 0.77 TSHR (0.47) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL20199422 0.76 DCTPP1 (0.56) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL30050781 0.76 DCTPP1 (0.56) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL20199539 0.76 KDM4E (0.50) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL20199773 0.75 MAPT (0.47) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL21331461 0.74 KDM4E (0.50) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL30830192 0.71 NPC1 (0.46) JAK2JAK3HPGDALDH1A1KDM4E

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 JAK2 625/4885JAK3 64/4885HPGD 2982/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP JAK2 625/4885JAK3 64/4885HPGD 2982/4885

“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.