SCHEMBL20199464

SCHEMBL20199464

O=C(O)c1ccnn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.42
IRAK4 Q9NWZ3 4/20 0.42
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
STING1 Q86WV6 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4A O75164 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2380423 0.84 IRAK4 (0.51) GSK3AIRAK4KDM4EL3MBTL1HTT
SCHEMBL17303154 0.79 HTT (0.55) GSK3AIRAK4STING1RAB9AHTT
SCHEMBL309036 0.78 IRAK4 (0.58) IRAK4KDM4ESTING1RAB9AHTT
SCHEMBL1419803 0.76 KDM4E (0.51) IRAK4KDM4ETDP1STING1L3MBTL1
Hydrochloric Acid SCHEMBL31474423 0.76 IRAK4 (0.57) IRAK4KDM4ESTING1RAB9AHTT
Hydrochloric Acid SCHEMBL30152392 0.76 IRAK4 (0.57) IRAK4KDM4ESTING1RAB9AHTT
SCHEMBL21331457 0.76 ALDH1A1 (0.49) KDM4ERAB9AMAPTALDH1A1TSHR
SCHEMBL4283322 0.75 HSD11B1 (0.41) IRAK4KDM4ETDP1STING1RAB9A
SCHEMBL1419899 0.74 KDM4E (0.50) KDM4ETDP1L3MBTL1MAPTALDH1A1
SCHEMBL31278096 0.74 GSK3A (0.45) GSK3AKDM4ETDP1L3MBTL1KDM4A

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 GSK3A 2/4885IRAK4 3327/4885KDM4E 2252/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885IRAK4 3327/4885KDM4E 2252/4885

“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.