SCHEMBL4964535

SCHEMBL4964535

Cc1nc2c(O)c(CCC(=O)c3ccc(F)cc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HTR7 P34969 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GSK3B P49841 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
GAA P10253 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4963738 0.90 PDK1 (0.31) PDK1HSP90AA1HSP90AB1PDK2PDK3
SCHEMBL4664618 0.90 KMT2A (0.35) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL4963473 0.87 SMN1; SMN2 (0.41) PDK2PDK4SMN1; SMN2NPC1RAB9A
SCHEMBL4963749 0.85 GSK3B (0.35) SMN1; SMN2RAB9AGSK3BCTNNB1WNT3A
SCHEMBL4963781 0.83 CTNNB1 (0.35) PDK1PDK2PDK3PDK4HTT
SCHEMBL1942863 0.83 KMT2A (0.41) SMN1; SMN2TSHRGAAALDH1A1LMNA
SCHEMBL5106848 0.83 AOC3 (0.32)
SCHEMBL5106851 0.83 AOC3 (0.32)
SCHEMBL4964361 0.82 IDO1 (0.38) SMN1; SMN2NPC1RAB9ACTNNB1WNT3A
SCHEMBL5108006 0.82 CXCR3 (0.35) PDK1RXFP1HTTSMN1; SMN2NPC1

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 3 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
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 PDK1 460/4885RXFP1 964/4885HSP90AA1 2943/4885

“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.