SCHEMBL4664618

SCHEMBL4664618

Cc1nc2c(O)c(CCC(=O)c3ccccc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.34
HSD11B1 P28845 7/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
DHODH Q02127 1/20 0.32
DHFR P00374 1/20 0.32
ALDH1A1 P00352 1/20 0.31
INSR P06213 1/20 0.31
ITK Q08881 1/20 0.31

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
SCHEMBL4963473 0.90 SMN1; SMN2 (0.41) KMT2APDK2PDK4HPGDRAB9A
SCHEMBL4964535 0.90 PDK1 (0.35) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL4963781 0.89 CTNNB1 (0.35) KMT2ABRD4PDK1PDK2PDK3
SCHEMBL4664854 0.88 KMT2A (0.34) KMT2AHSD11B1PDK1PDK2PDK3
SCHEMBL5108006 0.87 CXCR3 (0.35) KMT2ABRD4PDK1HPGDMEN1
SCHEMBL4663226 0.87 KMT2A (0.33) KMT2AHSD11B1PDK1PDK2PDK3
SCHEMBL4963749 0.87 GSK3B (0.35) KMT2AMEN1RAB9ADHODHALDH1A1
SCHEMBL4965054 0.87 HCRTR1 (0.32) BRD4
SCHEMBL4664629 0.86 ALDH1A1 (0.41) KMT2ABRD4HSD11B1GAAALDH1A1
SCHEMBL4666499 0.86 CYP2C9 (0.37) KMT2AHSD11B1PDK1PDK2PDK3

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
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US 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 KMT2A 3220/4885BRD4 85/4885HSD11B1 967/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI KMT2A 4735/4885BRD4 1068/4885HSD11B1 2384/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 KMT2A 2360/4885BRD4 366/4885HSD11B1 454/4885

“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.