SCHEMBL7859385

SCHEMBL7859385

CCC(=NNC(=N)N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PAK4 O96013 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR3 P22607 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL7859383 1.00 HIF1A (0.34) HIF1APLK4CHEK1AURKACHUK
SCHEMBL7861521 1.00 HIF1A (0.34) HIF1APLK4CHEK1AURKACHUK
SCHEMBL1770152 0.85
SCHEMBL14611870 0.80 ALDH1A1 (0.44)
SCHEMBL7527116 0.79 SPHK2 (0.44)
SCHEMBL7863779 0.79 SPHK2 (0.44)
SCHEMBL7527117 0.79 SPHK2 (0.44)
SCHEMBL1770011 0.78
SCHEMBL7859358 0.72 ALDH1A1 (0.46) HIF1APLK4CHEK1AURKACHUK
SCHEMBL17234569 0.72 ALDH1A1 (0.46) HIF1APLK4CHEK1AURKACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1377642-A Use of compound for preparing medicine for curing and preventing non-insulin dependent diabetes or obesity BIOVITRUM AB (SE) 2002-11-06 CN claimed
EP-0793646-B1 AMINOGUANIDINE CARBOXYLATES FOR THE TREATMENT OF NON-INSULIN-DEPENDENT DIABETES MELLITUS UPJOHN CO (US) 2001-09-05 EP claimed
CN-1164226-A Aminoguanidine carboxylates for the treatment of non-insulin dependent diabetes mellitus UPJOHN CO (US) 1997-11-05 CN claimed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
CN-1377642-A Use of compound for preparing medicine for curing and preventing non-insulin dependent diabetes or obesity BIOVITRUM AB (SE) 2002-11-06 CN disclosed
CN-1164226-A Aminoguanidine carboxylates for the treatment of non-insulin dependent diabetes mellitus UPJOHN CO (US) 1997-11-05 CN 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 (5 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 HIF1A 1848/4885PLK4 2074/4885CHEK1 410/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 HIF1A 2228/4885PLK4 499/4885CHEK1 518/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 HIF1A 2228/4885PLK4 499/4885CHEK1 518/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 HIF1A 2228/4885PLK4 499/4885CHEK1 518/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 HIF1A 2228/4885PLK4 499/4885CHEK1 518/4885

“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.