SCHEMBL5091266

SCHEMBL5091266

NCCN(CC(=O)O)C(=O)Cc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.40
▸ GDA Q9Y2T3 1/20 0.40
▸ KDR P35968 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ MGMT P16455 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ POLA1 P09884 1/20 0.32
▸ PNP P00491 1/20 0.32
▸ PI4KA P42356 2/20 0.32
▸ PI4K2B Q8TCG2 2/20 0.32
▸ PI4K2A Q9BTU6 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 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
SCHEMBL8594396 0.90 PDPK1 (0.39) PDPK1GDAKDRAURKBCDK2
SCHEMBL5091257 0.82 CYP2C19 (0.30) —
SCHEMBL31239223 0.80 PDPK1 (0.53) PDPK1GDAKDRAURKBCDK2
SCHEMBL8592144 0.80 PDPK1 (0.53) PDPK1GDAKDRAURKBCDK2
SCHEMBL8343189 0.75 PDE4A (0.35) CDK2MGMTCYP1A2DPP4PNP
SCHEMBL17165348 0.75 GDA (0.53) PDPK1GDAKDRAURKBCDK2
SCHEMBL8594393 0.73 CYP2C19 (0.30) —
SCHEMBL5104206 0.72 XDH (0.47) GDAXDH
SCHEMBL6379588 0.70 PDPK1 (0.58) PDPK1GDAKDRAURKBCDK2
SCHEMBL17060283 0.70 PDPK1 (0.61) PDPK1GDAKDRAURKBCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189941-B1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS IPSEN PHARMA (FR) 2013-01-09 — — EP disclosed
US-20080132453-A1 Neuromedin B and somatostatin receptor agonists IPSEN PHARMA S.A.S. (FR) 2008-06-05 — — US disclosed
US-6903074-B1 Neuromedin b and somatostatin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2005-06-07 — — US disclosed
CN-1367793-A Neuromedin B and somatostatin receptor agonists CONSEILS DE RES ES ET D APPLIC (FR) 2002-09-04 — — CN disclosed
EP-1189941-A1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2002-03-27 — — EP disclosed
WO-2000075186-A1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 2000-12-14 — — 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 (1 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-20080132453-A1 Neuromedin B and somatostatin receptor agonists NMBR, NMUR1, NMUR2 PDPK1 4692/4885GDA 3187/4885KDR 1066/4885

“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.

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