SCHEMBL5025515

SCHEMBL5025515

NCc1ccc(Nc2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CXCR4 P61073 1/20 0.50
MAPK10 P53779 1/20 0.50
GFER P55789 1/20 0.50
ADRB2 P07550 1/20 0.47
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10289575 0.85 AURKA (0.48) MEN1KMT2ACXCR4MAPK10GFER
SCHEMBL9837237 0.82 CYP1A2 (0.51) MEN1KMT2ACXCR4MAPK10GFER
SCHEMBL29590223 0.79 MEN1 (0.55) MEN1KMT2AMAPK10GFERALDH1A1
SCHEMBL3888498 0.79 MEN1 (0.55) MEN1KMT2AMAPK10GFERALDH1A1
SCHEMBL4926432 0.79 ADRB2 (0.52) ADRB2
SCHEMBL25201789 0.79 CXCR4 (0.56) MEN1KMT2ACXCR4MAPK10GFER
SCHEMBL31390266 0.79 MEN1 (0.59) MEN1KMT2AMAPK10GFERALDH1A1
SCHEMBL5025381 0.79 CXCR4 (0.82) MEN1KMT2ACXCR4ADRB2FABP1
SCHEMBL29582475 0.78 MEN1 (0.64) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL626575 0.78 MEN1 (0.64) MEN1KMT2AMAPK10GFERFABP1

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
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
EP-1171435-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed
WO-2000061551-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B MEN1 4463/4885KMT2A 4698/4885CXCR4 43/4885

“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.