SCHEMBL20190398

SCHEMBL20190398

Nc1cnc2c(C(=O)O)ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4A O75164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM6B O15054 1/20 0.43
THRB P10828 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
MAP2K1 Q02750 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CSNK1D P48730 1/20 0.36

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
SCHEMBL21345832 0.73 GSK3A (0.46) KDM4EALDH1A1TDP1MAPTKDM4A
SCHEMBL20199605 0.70 GSK3A (0.46) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL20190355 0.69 GSK3A (0.67) KDM4EMAPTKDM4CASPHKDM8
SCHEMBL11633133 0.69 KDM4E (0.40) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1180740 0.68 ALPL (0.36) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL20199464 0.67 GSK3A (0.42) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL10408157 0.66 KDM4E (0.57) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL2462603 0.66 KDM4E (0.57) KDM4EALDH1A1TDP1L3MBTL1KDM4A
SCHEMBL10407220 0.64 KDM4E (0.56) KDM4EALDH1A1TDP1MAPTRAB9A
SCHEMBL359062 0.64 KDM4E (0.57) KDM4EALDH1A1TDP1L3MBTL1KDM4C

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 10 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
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP 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
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 2252/4885ALDH1A1 4339/4885TDP1 1102/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2252/4885ALDH1A1 4339/4885TDP1 1102/4885

“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.