SCHEMBL20199422

SCHEMBL20199422

CCOC(=O)c1ccnn2cc(-c3cccnc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.56
GSK3A P49840 9/20 0.55
MAPT P10636 4/20 0.55
GSK3B P49841 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46

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
SCHEMBL30050781 1.00 DCTPP1 (0.56) DCTPP1GSK3AMAPTGSK3BRAB9A
SCHEMBL20199337 0.89 ALDH1A1 (0.58) GSK3AMAPTGSK3BRAB9ANPC1
SCHEMBL30051141 0.84 DCTPP1 (0.54) DCTPP1GSK3AMAPTGSK3BRAB9A
SCHEMBL20199621 0.84 DCTPP1 (0.54) DCTPP1GSK3AMAPTGSK3BRAB9A
SCHEMBL20199396 0.82 GSK3A (0.68) GSK3AMAPTGSK3BKDM4E
SCHEMBL21331461 0.81 KDM4E (0.50) GSK3AMAPTRAB9ANPC1KDM4E
SCHEMBL30398502 0.80 TSHR (0.47) DCTPP1MAPTRAB9ANPC1KDM4E
SCHEMBL19438582 0.77 KDM4E (0.55) DCTPP1MAPTGSK3BRAB9ANPC1
SCHEMBL20199773 0.77 MAPT (0.47) GSK3AMAPTRAB9ANPC1KDM4E
SCHEMBL19436709 0.77 KDM4E (0.81) DCTPP1MAPTRAB9ANPC1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DCTPP1 1779/4885GSK3A 2/4885MAPT 81/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP DCTPP1 1779/4885GSK3A 2/4885MAPT 81/4885

“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.