SCHEMBL4551053

SCHEMBL4551053

CCCCCc1nc(N)ncc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
HSP90AA1 P07900 1/20 0.42
NUDT1 P36639 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
PI4KA P42356 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
SCHEMBL4802103 0.84 DHFR (0.38) DHFRKDM4EMEN1USP2ALDH1A1
SCHEMBL28150295 0.84 DHFR (0.44) DHFRHSP90AA1NUDT1PKMTLR8
SCHEMBL15579444 0.82 DHFR (0.43) DHFRHSP90AA1NUDT1KDM4EMEN1
SCHEMBL28236618 0.82 DHFR (0.47) DHFRNUDT1PKM
SCHEMBL28902641 0.81 DHFR (0.36) DHFRKDM4EMEN1USP2ALDH1A1
SCHEMBL10399566 0.78 NUDT1 (0.43) DHFRHSP90AA1NUDT1MEN1ALDH1A1
SCHEMBL28762999 0.77 HSP90AA1 (0.56) DHFRHSP90AA1NUDT1KDM4EMEN1
SCHEMBL27523630 0.76 DHFR (0.48) DHFR
SCHEMBL28874972 0.75 HSP90AA1 (0.41) DHFRHSP90AA1NUDT1PKML3MBTL1
SCHEMBL1554275 0.74 PKM (0.55) DHFRPKM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966326-A Water soluble adjuvants 大日本住友制药株式会社 2022-01-21 CN disclosed
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
US-20050054663-A1 Bone disorders; osteoporosis CHIRON CORPORATION 2005-03-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
EP-0504180-B1 GLYCYL-P-AMINO-PYRIDINE FOR THE TREATMENT OF SENILE DEMENTIA STATES MEDEA RES SRL (IT) 1993-10-27 EP disclosed
US-5244897-A GLYCYL-P-AMINO-PYRIDINE FOR THE TREATMENT OF SENILE DEMENTIA STATES MEDEA RESEARCH S.R.L. (IT) 1993-09-14 US disclosed
EP-0504180-A1 GLYCYL-P-AMINO-PYRIDINE FOR THE TREATMENT OF SENILE DEMENTIA STATES. MEDEA RES SRL (IT) 1992-09-23 EP disclosed
WO-1991007963-A1 GLYCYL-P-AMINO-PYRIDINE FOR THE TREATMENT OF SENILE DEMENTIA STATES MEDEA RESEARCH S.R.L. (IT) 1991-06-13 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 (4 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-20050054663-A1 Bone disorders; osteoporosis GSK3B, GSK3A, GSKIP DHFR 1600/4885HSP90AA1 4117/4885NUDT1 454/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DHFR 1042/4885HSP90AA1 1343/4885NUDT1 2465/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP DHFR 1638/4885HSP90AA1 3567/4885NUDT1 1100/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DHFR 1042/4885HSP90AA1 1343/4885NUDT1 2465/4885

“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.