SCHEMBL3221507

SCHEMBL3221507

NCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
GAA P10253 1/20 0.54
PDE10A Q9Y233 1/20 0.53
AKR1C3 P42330 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 2/20 0.51
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
PLK4 O00444 1/20 0.51
ROCK2 O75116 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
PIM1 P11309 1/20 0.51
AXL P30530 1/20 0.51
FLT4 P35916 1/20 0.51
FLT3 P36888 1/20 0.51
CSNK1D P48730 1/20 0.51
GSK3A P49840 1/20 0.51

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
Hydrochloric Acid SCHEMBL5028019 0.98 MEN1 (0.68) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL26299109 0.88 MEN1 (0.69) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL20685416 0.83 MEN1 (1.00) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL30020996 0.82 MEN1 (0.75) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL239690 0.82 MEN1 (0.75) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL3771108 0.80 ALDH1A1 (0.61) MEN1KMT2AAKR1C3SMN1; SMN2RAB9A
SCHEMBL1996591 0.80 MEN1 (0.71) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL6037541 0.80 MEN1 (0.71) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL1163897 0.80 MEN1 (0.71) MEN1KMT2AGAAPDE10AAKR1C3
SCHEMBL6037544 0.80 MEN1 (0.71) MEN1KMT2AGAAPDE10AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
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
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
US-20040063934-A1 Integrin ligands ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-01 US disclosed
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
EP-1289962-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002051810-A2 INTEGRIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
WO-2001096312-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 WO 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

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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 MEN1 3854/4885KMT2A 3825/4885GAA 3334/4885
US-20040063934-A1 Integrin ligands ITGB3, ITGAV, ITGAL MEN1 4388/4885KMT2A 4601/4885GAA 2949/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B MEN1 4541/4885KMT2A 4233/4885GAA 3247/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B MEN1 4463/4885KMT2A 4698/4885GAA 3246/4885

“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.