SCHEMBL4574787

SCHEMBL4574787

Cc1nc2c(O)c(CN(C)C)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
PDK1 Q15118 2/20 0.31
ADRB2 P07550 1/20 0.31
PKM P14618 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL4737338 0.85 KDM4E (0.36) MEN1KMT2AALDH1A1GAA
SCHEMBL4666506 0.85 MAP4K1 (0.33) MEN1KMT2ARXFP1ERAP1ALDH1A1
SCHEMBL5116642 0.84 GAA (0.43) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4664618 0.79 KMT2A (0.35) MEN1KMT2AALDH1A1GAAPDK1
SCHEMBL4664692 0.79 GAA (0.33) MEN1KMT2ARXFP1ERAP1ALDH1A1
SCHEMBL1944197 0.78 ALDH3A1 (0.41) KMT2AALDH1A1GAALMNA
SCHEMBL4963781 0.78 CTNNB1 (0.35) MEN1KMT2AALDH1A1GAAPDK1
SCHEMBL5138943 0.78 CXCR2 (0.33) ALDH1A1LMNAGSK3B
SCHEMBL4964535 0.78 PDK1 (0.35) RXFP1ALDH1A1GAALMNAPDK1
SCHEMBL4664643 0.78 CXCR2 (0.33) ALDH1A1LMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
WO-2008114123-A1 SPIRO BENZIMIDAZOLE DERIVATIVES AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-09-25 WO disclosed
WO-2008095912-A2 ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-08-14 WO disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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 (3 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR MEN1 3164/4885KMT2A 3220/4885RXFP1 2205/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI MEN1 2783/4885KMT2A 4735/4885RXFP1 3829/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 MEN1 917/4885KMT2A 2360/4885RXFP1 964/4885

“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.